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CAS 51505-10-3 (6-Chloro-2-oxo-4-phenyl-1,2-dihydro-quinolin-3-yl)-acetic acid molecular structure lightbox
CAS RN: 51505-10-3

(6-Chloro-2-oxo-4-phenyl-1,2-dihydro-quinolin-3-yl)-acetic acid

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250501 100mg In stock Shanghai Inquiry
Batchno.20260531 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250926 1g In stock Shanghai Inquiry
Batchno.20260326 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS51505-10-3
  • Purity/Analytical Methods: >99.0%
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51505-10-3 / 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid

Standard CAS: 51505-10-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51505-10-3
Multi CAS
Yes
Molecular Formula
C17H12CLNO3
Molecular Weight
313.700000
Exact Mass
313.050571
InChI
InChI=1S/C17H12ClNO3/c18-11-6-7-14-12(8-11)16(10-4-2-1-3-5-10)13(9-15(20)21)17(22)19-14/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKey
SHDUUQWYFNJIAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
86.35
TPSA
70.16

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
2.6
Consensus LogP
3.05
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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