3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid

Name: 3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid
SKU: PI391211975
Rating: 5 (1 reviews)

Cat. No.: PI391211975

Product Details Other Identifiers Computed Properties

CAS	391211-97-5
Purity	95%
Molecular Formula	C13H7F3INO2
Molecular Weight	393.10
Molar Refractivity	75.54

Pubchem ID	22025663
InChI Key	REMYZOSCCVDLDL-UHFFFAOYSA-N
MDL Number	MFCD08690072

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	3
Topological Polar Surface Area	49.33 Å²
Heavy Atom Count	20
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.0
Log Po/w (iLOGP)	2.1
Log Po/w (XLOGP3)	4.49
Log Po/w (WLOGP)	5.41
Log Po/w (MLOGP)	3.66
Log Po/w (SILICOS-IT)	4.32
Consensus Log Po/w	4.0
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.51 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	2.0
Synthetic Accessibility	2.57

* 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 *