Tetrahydrofolic acid

Cat. No.: PI135160

Product Details Other Identifiers Computed Properties

CAS	135-16-0
Synonyms	(2S)-2-(4-(((2-Amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid
Purity	67%
Molecular Formula	C19H23N7O6
Molecular Weight	445.43
Molar Refractivity	121.03

Pubchem ID	135444742
InChI Key	MSTNYGQPCMXVAQ-KIYNQFGBSA-N
MDL Number	MFCD00135583

Hydrogen Bond Donor Count	8.0
Hydrogen Bond Acceptor Count	7.0
Rotatable Bond Count	10
Topological Polar Surface Area	211.56 Å²
Heavy Atom Count	32
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.32
Log Po/w (iLOGP)	0.27
Log Po/w (XLOGP3)	-0.63
Log Po/w (WLOGP)	-1.61
Log Po/w (MLOGP)	-0.85
Log Po/w (SILICOS-IT)	-0.61
Consensus Log Po/w	-0.69
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-9.46 cm/s
Lipinski	2.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	2.0
Bioavailability Score	0.11
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	4.03

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