Oxepan-2-one

Oxepan-2-one

Cat. No.: PI502443

Product Details Other Identifiers Computed Properties
CAS 502-44-3
Purity 97%
Molecular Formula C6H10O2
Molecular Weight 114.14
Molar Refractivity 30.13
Pubchem ID 10401
InChI Key PAPBSGBWRJIAAV-UHFFFAOYSA-N
MDL Number MFCD00003267
Hydrogen Bond Donor Count 0.0
Hydrogen Bond Acceptor Count 2.0
Rotatable Bond Count 0
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 8
Aromatic Heavy Atoms Number 0
Fraction Csp3 0.83
Log Po/w (iLOGP) 1.53
Log Po/w (XLOGP3) 0.01
Log Po/w (WLOGP) 1.1
Log Po/w (MLOGP) 0.88
Log Po/w (SILICOS-IT) 1.87
Consensus Log Po/w 1.08
GI Absorption High
BBB Permeant Yes
P-gp Substrate No
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -6.99 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 1.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 1.0
Synthetic Accessibility 1.51

* 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