Bay 41-4109 racemate

Name: Bay 41-4109 racemate
SKU: PI298708799
Rating: 5 (1 reviews)

Catalog NumberPI298708799

CAS Number298708-79-9

CategoryAnti-Infection Intermediates

Product Details

Synonyms	Methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
Purity	98%
Molecular Formula	C18H13ClF3N3O2
Molecular Weight	395.76
Molar Refractivity	99.84

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Other Identifiers

Pubchem ID	9865484
InChI Key	FVNJBPMQWSIGJK-UHFFFAOYSA-N
MDL Number	MFCD30729326

Computed Properties

Aromatic Heavy Atoms Number	12
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	3.8
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.17
Ghose	None
GI Absorption	High
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.51 cm/s
Log Po/w (iLOGP)	3.01
Log Po/w (MLOGP)	3.75
Log Po/w (SILICOS-IT)	5.27
Log Po/w (WLOGP)	3.87
Log Po/w (XLOGP3)	3.11
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	4.14
Topological Polar Surface Area	63.58 Å²
Veber	0.0

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