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CAS 146662-42-2 SR 2640 hydrochloride molecular structure lightbox
CAS RN: 146662-42-2

SR 2640 hydrochloride

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250426 100mg In stock Shanghai Inquiry
Batchno.20250516 250mg In stock Shanghai Inquiry
Batchno.20260606 25mg In stock Shanghai Inquiry
Batchno.20260220 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS146662-42-2
  • Purity/Analytical Methods: >99.0%
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146662-42-2 / 2-[3-(quinolin-2-ylmethoxy)anilino]benzoic acid;hydrochloride

Standard CAS: 146662-42-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146662-42-2
Multi CAS
No
Molecular Formula
C23H19ClN2O3
Molecular Weight
406.900000
Exact Mass
406.108420
SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)NC4=CC=CC=C4C(=O)O.Cl
InChI
InChI=1S/C23H18N2O3.ClH/c26-23(27)20-9-2-4-11-22(20)24-17-7-5-8-19(14-17)28-15-18-13-12-16-6-1-3-10-21(16)25-18;/h1-14,24H,15H2,(H,26,27);1H
InChIKey
KDSYWFCTUKABKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
22
Fraction Csp3
0.04
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
116.45
TPSA
71.45

LogP / Solubility

WLOGP
5.68
MLOGP
5.02
XLogP3
5.68
Consensus LogP
5.46
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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