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CAS 1138152-53-0 alpha-(3-Biphenylyl)benzylamine molecular structure lightbox
CAS RN: 1138152-53-0

alpha-(3-Biphenylyl)benzylamine

  • Product code: SSC-013805
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1138152-53-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1138152-53-0 / phenyl-(3-phenylphenyl)methanamine

alpha-(3-Biphenylyl)benzylamine | [1,1'-Biphenyl]-3-yl(phenyl)methanamine | MFCD22574976

Standard CAS: 1138152-53-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1138152-53-0
Multi CAS
No
Molecular Formula
C19H17N
Molecular Weight
259.300000
Exact Mass
259.136100
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C(C3=CC=CC=C3)N
InChI
InChI=1S/C19H17N/c20-19(16-10-5-2-6-11-16)18-13-7-12-17(14-18)15-8-3-1-4-9-15/h1-14,19H,20H2
InChIKey
VEXBAFDHQBLMHV-UHFFFAOYSA-N
Synonyms
alpha-(3-Biphenylyl)benzylamine [1,1'-Biphenyl]-3-yl(phenyl)methanamine MFCD22574976 phenyl-(3-phenylphenyl)methanamine AC2990

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
84.35
TPSA
26.02

LogP / Solubility

WLOGP
4.4
MLOGP
3.88
XLogP3
4.1
Consensus LogP
4.13
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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