A2941/0123857
TL;DR: A2941/0123857 (CAS 681853-20-3) is a chemical compound with molecular formula C21H18BrNO7 and molecular weight 475.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-bromo-2-oxochromene-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
Also Known As: A2941/0123857, 3-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-(3,4-dimethoxyphenyl)propanoic acid, 3-(6-bromo-2-oxo-2H-chromene-3-carboxamido)-3-(3,4-dimethoxyphenyl)propanoic acid, 3-[(6-bromo-2-oxochromene-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid, 3-[(6-BROMO-2-OXO-2H-CHROMEN-3-YL)FORMAMIDO]-3-(3,4-DIMETHOXYPHENYL)PROPANOIC ACID
| Molecular Formula | C21H18BrNO7 |
|---|---|
| Molecular Weight | 475.03 g/mol |
| LogP | 3.5185 |
| Topological Polar Surface Area | 115.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.02667 |
| Heavy Atoms | 30 |
| Complexity | 1171.7189 |
Chemical Identifiers
| CAS Number | 681853-20-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)OC |
Product Overview
A2941/0123857 (CAS 681853-20-3), with molecular formula C21H18BrNO7 and molecular weight 475.03 g/mol. IUPAC: 3-[(6-bromo-2-oxochromene-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid.
Chemical Property Profile of A2941/0123857
Property Insights of A2941/0123857
The XLogP value of 3.5185 indicates that A2941/0123857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A2941/0123857. Following Lipinski's Rule of Five, A2941/0123857 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2941/0123857?
The CAS number of A2941/0123857 is 681853-20-3.
What is the molecular formula of A2941/0123857?
The molecular formula of A2941/0123857 is C21H18BrNO7.
What is the molecular weight of A2941/0123857?
The molecular weight of A2941/0123857 is 475.03 g/mol.
Where can I buy A2941/0123857?
You can request a quote for A2941/0123857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2941/0123857?
Yes, KEHONG BIO provides custom synthesis services for A2941/0123857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.