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CAS 141335-10-6 LCB-2853 molecular structure lightbox
CAS RN: 141335-10-6

LCB-2853

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260122 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS141335-10-6
  • Purity/Analytical Methods: >99.0%
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141335-10-6 / 2-[4-[[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid

Standard CAS: 141335-10-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141335-10-6
Multi CAS
No
Molecular Formula
C21H24ClNO4S
Molecular Weight
421.900000
Exact Mass
421.111457
SMILES
C1CCC(C1)(CC2=CC=C(C=C2)CC(=O)O)CNS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H24ClNO4S/c22-18-7-9-19(10-8-18)28(26,27)23-15-21(11-1-2-12-21)14-17-5-3-16(4-6-17)13-20(24)25/h3-10,23H,1-2,11-15H2,(H,24,25)
InChIKey
IKPIVPXMOXMBHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
109.03
TPSA
83.47

LogP / Solubility

WLOGP
4.05
MLOGP
3.59
XLogP3
4.6
Consensus LogP
4.08
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.72
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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