CAS RN: 277313-08-3

2-Hydroxy-N-Methoxy-N-Methyl-[1,1-Biphenyl]-3-Carboxamide(WXC01955)

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Batchno.20250717 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS277313-08-3
  • Purity/Analytical Methods: >99.0%
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277313-08-3 / 2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide

Standard CAS: 277313-08-3 Multi CAS: No

Basic Information

CAS
277313-08-3
Multi CAS
No
Molecular Formula
C15H15NO3
Molecular Weight
257.280000
Exact Mass
257.105193
InChI
InChI=1S/C15H15NO3/c1-16(19-2)15(18)13-10-6-9-12(14(13)17)11-7-4-3-5-8-11/h3-10,17H,1-2H3
InChIKey
WAJUEAMTSOPIKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.65
TPSA
49.77

LogP / Solubility

WLOGP
2.69
MLOGP
2.38
XLogP3
3.3
Consensus LogP
2.79
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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