A-317491
TL;DR: A-317491 (CAS 475205-49-3) is a chemical compound with molecular formula C33H27NO8 and molecular weight 565.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-phenoxyphenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
Also Known As: antagonist A-317491, A-317491 DISODIUM SALT, 475205-49-3 (free acid), s8519, A-317491 (sodium salt hydrate)?
| Molecular Formula | C33H27NO8 |
|---|---|
| Molecular Weight | 565.17 g/mol |
| LogP | 6.2935 |
| Topological Polar Surface Area | 141.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 565.17365 |
| Heavy Atoms | 42 |
| Complexity | 1680.9738 |
Chemical Identifiers
| CAS Number | 475205-49-3 |
|---|---|
| SMILES | C1C[C@@H](C2=CC=CC=C2C1)N(CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)C5=CC(=C(C=C5C(=O)O)C(=O)O)C(=O)O |
Product Overview
A-317491 (CAS 475205-49-3), with molecular formula C33H27NO8 and molecular weight 565.17 g/mol. IUPAC: 5-[(3-phenoxyphenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid.
Chemical Property Profile of A-317491
Property Insights of A-317491
The XLogP value of 6.2935 indicates that A-317491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.44 Ų indicates high polarity, suggesting A-317491 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A-317491 has 3 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 A-317491?
The CAS number of A-317491 is 475205-49-3.
What is the molecular formula of A-317491?
The molecular formula of A-317491 is C33H27NO8.
What is the molecular weight of A-317491?
The molecular weight of A-317491 is 565.17 g/mol.
Where can I buy A-317491?
You can request a quote for A-317491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-317491?
Yes, KEHONG BIO provides custom synthesis services for A-317491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.