L 691831
TL;DR: L 691831 (CAS 136668-70-7) is a chemical compound with molecular formula C36H38N2O4 and molecular weight 562.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-benzyl-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
Also Known As: L 691831, L-691831, L-691,831, 3-[1-benzyl-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid, 3-(1-benzyl-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
| Molecular Formula | C36H38N2O4 |
|---|---|
| Molecular Weight | 562.28 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 562.28314 |
| Heavy Atoms | 42 |
| Complexity | 922.0 |
Chemical Identifiers
| CAS Number | 136668-70-7 |
|---|---|
| SMILES | CC(C)(C)CC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=CC=C5)CC(C)(C)C(=O)O |
| InChIKey | APLNXIHARZQHIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
L 691831 (CAS 136668-70-7), with molecular formula C36H38N2O4 and molecular weight 562.28 g/mol. IUPAC: 3-[1-benzyl-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid.
Chemical Property Profile of L 691831
Property Insights of L 691831
The XLogP value of 7.4 indicates that L 691831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for L 691831. Following Lipinski's Rule of Five, L 691831 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L 691831?
The CAS number of L 691831 is 136668-70-7.
What is the molecular formula of L 691831?
The molecular formula of L 691831 is C36H38N2O4.
What is the molecular weight of L 691831?
The molecular weight of L 691831 is 562.28 g/mol.
Where can I buy L 691831?
You can request a quote for L 691831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L 691831?
Yes, KEHONG BIO provides custom synthesis services for L 691831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.