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CAS 1203510-05-7 (2-aMino-4-chloro-pyridin-3-yl)-phenyl-Methanone molecular structure lightbox
CAS RN: 1203510-05-7

(2-aMino-4-chloro-pyridin-3-yl)-phenyl-Methanone

  • Product code: SSC-021209
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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: ＞97%
  • 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 1203510-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1203510-05-7 / (2-amino-4-chloro-3-pyridinyl)-phenylmethanone

(2-amino-4-chloropyridin-3-yl)(phenyl)methanone | MFCD17926323 | 3-BENZOYL-4-CHLOROPYRIDIN-2-AMINE

Standard CAS: 1203510-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1203510-05-7
Multi CAS
No
Molecular Formula
C12H9ClN2O
Molecular Weight
232.660000
Exact Mass
232.040341
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CN=C2N)Cl
InChI
InChI=1S/C12H9ClN2O/c13-9-6-7-15-12(14)10(9)11(16)8-4-2-1-3-5-8/h1-7H,(H2,14,15)
InChIKey
LTHRVXKIFSUUPQ-UHFFFAOYSA-N
Synonyms
(2-amino-4-chloropyridin-3-yl)(phenyl)methanone MFCD17926323 3-BENZOYL-4-CHLOROPYRIDIN-2-AMINE (2-amino-4-chloropyridin-3-yl)-phenylmethanone (2-AMINO-4-CHLORO-PYRIDIN-3-YL)-PHENYL-METHANONE

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.53
TPSA
55.98

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
3
Consensus LogP
2.6
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

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

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