C21H17Cl2NO6
TL;DR: C21H17Cl2NO6 (CAS 1214835-96-7) is a chemical compound with molecular formula C21H17Cl2NO6 and molecular weight 449.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(4-chlorophenyl)propanoic acid
Also Known As: EiM17-05133, 4-chloro-N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]phenylalanine, 2-(2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-3-(4-chlorophenyl)propanoic acid, 2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(4-chlorophenyl)propanoic acid, C21H17Cl2NO6
| Molecular Formula | C21H17Cl2NO6 |
|---|---|
| Molecular Weight | 449.04 g/mol |
| LogP | 3.46842 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.0433 |
| Heavy Atoms | 30 |
| Complexity | 1186.8063 |
Chemical Identifiers
| CAS Number | 1214835-96-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O |
Product Overview
C21H17Cl2NO6 (CAS 1214835-96-7), with molecular formula C21H17Cl2NO6 and molecular weight 449.04 g/mol. IUPAC: 2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(4-chlorophenyl)propanoic acid.
Chemical Property Profile of C21H17Cl2NO6
Property Insights of C21H17Cl2NO6
The XLogP value of 3.46842 indicates that C21H17Cl2NO6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H17Cl2NO6. Following Lipinski's Rule of Five, C21H17Cl2NO6 has 3 hydrogen bond donor(s) and 5 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 C21H17Cl2NO6?
The CAS number of C21H17Cl2NO6 is 1214835-96-7.
What is the molecular formula of C21H17Cl2NO6?
The molecular formula of C21H17Cl2NO6 is C21H17Cl2NO6.
What is the molecular weight of C21H17Cl2NO6?
The molecular weight of C21H17Cl2NO6 is 449.04 g/mol.
Where can I buy C21H17Cl2NO6?
You can request a quote for C21H17Cl2NO6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H17Cl2NO6?
Yes, KEHONG BIO provides custom synthesis services for C21H17Cl2NO6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.