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CAS 1808951-93-0 N-((2R,3S)-2-(4-Chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3 molecular structure lightbox
CAS RN: 1808951-93-0

N-((2R,3S)-2-(4-Chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260617 5mg / 10mg / 25mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250625 10mg In stock Shanghai Inquiry
Batchno.20251130 25mg In stock Shanghai Inquiry
Batchno.20251206 50mg Out of stock Inquiry
Batchno.20250506 5mg Out of stock Inquiry
  • Product code: starshine_CAS1808951-93-0
  • Purity/Analytical Methods: >99.0%
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1808951-93-0 / N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxoquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide

Standard CAS: 1808951-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1808951-93-0
Multi CAS
No
Molecular Formula
C26H30ClN3O4S
Molecular Weight
516.100000
Exact Mass
515.164555
SMILES
CC1=CC(=O)N(C2=C1C=CC(=C2)N3[C@@H]([C@H](CCC3=O)NS(=O)(=O)CC(C)C)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1
InChIKey
LVDRREOUMKACNJ-BKMJKUGQSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
16
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
140.39
TPSA
88.48

LogP / Solubility

WLOGP
4.31
MLOGP
3.83
XLogP3
3.5
Consensus LogP
3.88
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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