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CAS 13234-79-2 [1,1′-biphenyl]-2-carboxamide molecular structure lightbox
CAS RN: 13234-79-2

[1,1′-biphenyl]-2-carboxamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250709 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13234-79-2
  • Purity/Analytical Methods: >99.0%
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13234-79-2 / 2-phenylbenzamide

Standard CAS: 13234-79-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13234-79-2
Multi CAS
No
Molecular Formula
C13H11NO
Molecular Weight
197.230000
Exact Mass
197.084064
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C(=O)N
InChI
InChI=1S/C13H11NO/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H2,14,15)
InChIKey
GTKIGDZXPDCIKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.4
TPSA
43.09

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

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

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