(2S,3R,4S,5S,6R)-2-(3-(Benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol

(2S,3R,4S,5S,6R)-2-(3-(Benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol

Cat. No.: PI1034305231

Product Details Other Identifiers Computed Properties
CAS 1034305-23-1
Purity 95%
Molecular Formula C22H23FO6S
Molecular Weight 434.48
Molar Refractivity 109.63
Pubchem ID 68587726
InChI Key JBFQHCJIYXXZRZ-VOFPXKNKSA-N
MDL Number MFCD28388327
Hydrogen Bond Donor Count 4.0
Hydrogen Bond Acceptor Count 7.0
Rotatable Bond Count 5
Topological Polar Surface Area 127.62 Ų
Heavy Atom Count 30
Aromatic Heavy Atoms Number 15
Fraction Csp3 0.36
Log Po/w (iLOGP) 2.72
Log Po/w (XLOGP3) 2.31
Log Po/w (WLOGP) 2.22
Log Po/w (MLOGP) 1.7
Log Po/w (SILICOS-IT) 3.8
Consensus Log Po/w 2.55
GI Absorption High
BBB Permeant No
P-gp Substrate Yes
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor Yes
CYP3A4Inhibitor Yes
Log Kp (Skin Permeation) -7.31 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 0.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 1.0
Synthetic Accessibility 4.96

* Our products are for research use only.

Get in Touch

We’re glad to help you with your products and services demands. For any inquiry, question or recommendation, please send an email to inquiry@alfa-chemistry.com or fill out the following form.

Verification code
For product and service inquiries icon1

For product and service inquiries, please use our online system or send an email to inquiry@alfa-chemistry.com.

For product and service inquiries icon2
PRODUCTS

APIs

Pharmaceutical Intermediates

Raw Materials

COMPANY CONTACT US
SERVICES

API Development

Preformulation Studies

Formulation Development

Regulatory Supports

CDMO Services

CERTIFICATION certification picture
FOLLOW US

Privacy Policy | Cookie Policy | Copyright © 2025 Alfa Chemistry. All rights reserved.

We use cookies to understand how you use our site and to improve the overall user experience. This includes personalizing content and advertising. Read our Privacy Policy

Accept Cookies
x