![CAS 80100-09-0 [1,1-Biphenyl]-4-yl(2-chloropyridin-4-yl)methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/80100-09-0.png)
CAS RN: 80100-09-0
[1,1-Biphenyl]-4-yl(2-chloropyridin-4-yl)methanone
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250522 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
80100-09-0 / (2-chloro-4-pyridinyl)-(4-phenylphenyl)methanone
[1,1'-biphenyl]-4-yl(2-chloropyridin-4-yl)methanone | 4-{[1,1'-biphenyl]-4-carbonyl}-2-chloropyridine | MFCD30294190
Basic Information
CAS
80100-09-0
Multi CAS
No
Molecular Formula
C18H12CLNO
Molecular Weight
293.700000
Exact Mass
293.060742
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC(=NC=C3)Cl
InChI
InChI=1S/C18H12ClNO/c19-17-12-16(10-11-20-17)18(21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKey
SVWNIEJSQQUONV-UHFFFAOYSA-N
Synonyms
[1,1'-biphenyl]-4-yl(2-chloropyridin-4-yl)methanone
4-{[1,1'-biphenyl]-4-carbonyl}-2-chloropyridine
MFCD30294190
[1,1-Biphenyl]-4-yl(2-chloropyridin-4-yl)methanone
(2-chloropyridin-4-yl)-(4-phenylphenyl)methanone
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
84.56
TPSA
29.96
LogP / Solubility
WLOGP
4.63
MLOGP
4.09
XLogP3
4.8
Consensus LogP
4.51
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
