Sodium 3-sulfobenzoate

Cat. No.: PI17625035

Product Details Other Identifiers Computed Properties

CAS	17625-03-5
Purity	95%
Molecular Formula	C7H5NaO5S
Molecular Weight	224.17
Molar Refractivity	41.32

Pubchem ID	23668512
InChI Key	KQHKITXZJDOIOD-UHFFFAOYSA-M
MDL Number	MFCD00066378

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	2
Topological Polar Surface Area	102.88 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	-9.49
Log Po/w (XLOGP3)	-0.01
Log Po/w (WLOGP)	0.38
Log Po/w (MLOGP)	0.76
Log Po/w (SILICOS-IT)	-0.38
Consensus Log Po/w	-1.75
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.67 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.93

* 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 or fill out the following form.

Name *

Phone

Email *

Address *

Products & Service of Interest *

Project Description

Verification Code *