7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid
TL;DR: 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid (CAS 568543-95-3) is a chemical compound with molecular formula C18H15ClN2O3 and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)propanoic acid
Also Known As: 3-(4-benzyl-7-chloro-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, 3-(4-Benzyl-7-chloro-3-oxo-3,4-dihydro-quinoxalin-2-yl)-propionic acid, 3-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)propanoic acid, IDI1_007621, 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid
| Molecular Formula | C18H15ClN2O3 |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 3.1154 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.07712 |
| Heavy Atoms | 24 |
| Complexity | 951.63025 |
Chemical Identifiers
| CAS Number | 568543-95-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C(C2=O)CCC(=O)O |
Product Overview
7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid (CAS 568543-95-3), with molecular formula C18H15ClN2O3 and molecular weight 342.08 g/mol. IUPAC: 3-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)propanoic acid.
Chemical Property Profile of 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid
Property Insights of 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid
The XLogP value of 3.1154 indicates that 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid. Following Lipinski's Rule of Five, 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid has 1 hydrogen bond donor(s) and 3 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 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid?
The CAS number of 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid is 568543-95-3.
What is the molecular formula of 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid?
The molecular formula of 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid is C18H15ClN2O3.
What is the molecular weight of 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid?
The molecular weight of 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid is 342.08 g/mol.
Where can I buy 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid?
You can request a quote for 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3,4-dihydro-3-oxo-4-(phenylmethyl)-2-quinoxalinepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.