4-Aminobenzamidine 2HCl

Name: 4-Aminobenzamidine 2HCl
SKU: PI2498502
Rating: 5 (1 reviews)

Cat. No.: PI2498502

Product Details Other Identifiers Computed Properties

CAS	2498-50-2
Synonyms	4-Aminobenzamidine dihydrochloride
Purity	95%
Molecular Formula	C7H11Cl2N3
Molecular Weight	208.09
Molar Refractivity	56.04

Pubchem ID	75626
InChI Key	GHEHNICLPWTXJC-UHFFFAOYSA-N
MDL Number	MFCD00013001

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	1
Topological Polar Surface Area	75.89 Å²
Heavy Atom Count	12
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	1.11
Log Po/w (WLOGP)	2.16
Log Po/w (MLOGP)	1.64
Log Po/w (SILICOS-IT)	0.39
Consensus Log Po/w	1.06
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.78 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	3.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.0

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