L 686741
TL;DR: L 686741 (CAS 133768-71-5) is a chemical compound with molecular formula C31H30Cl2N2O4S and molecular weight 596.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid
Also Known As: L 686741, L-686741, L-686,741, 3-(((3-(7-Chloro-2-quinolinyl)methoxyphenyl)(2-(4-chloro-2-dimethylcarbamoylphenyl)ethyl)methyl)thio)propanoic acid, 3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid
| Molecular Formula | C31H30Cl2N2O4S |
|---|---|
| Molecular Weight | 596.13 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 596.1303 |
| Heavy Atoms | 40 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 133768-71-5 |
|---|---|
| SMILES | CN(C)C(=O)C1=C(C=CC(=C1)Cl)CCC(C2=CC(=CC=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)SCCC(=O)O |
| InChIKey | KOEUMOZAMCRIGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
L 686741 (CAS 133768-71-5), with molecular formula C31H30Cl2N2O4S and molecular weight 596.13 g/mol. IUPAC: 3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid.
Chemical Property Profile of L 686741
Property Insights of L 686741
The XLogP value of 6.7 indicates that L 686741 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L 686741. Following Lipinski's Rule of Five, L 686741 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L 686741?
The CAS number of L 686741 is 133768-71-5.
What is the molecular formula of L 686741?
The molecular formula of L 686741 is C31H30Cl2N2O4S.
What is the molecular weight of L 686741?
The molecular weight of L 686741 is 596.13 g/mol.
Where can I buy L 686741?
You can request a quote for L 686741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L 686741?
Yes, KEHONG BIO provides custom synthesis services for L 686741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.