![3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid structure](/static/products/5407/540764-06-5.webp)
3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid
TL;DR: 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid (CAS 540764-06-5) is a chemical compound with molecular formula C15H20ClN3O4 and molecular weight 341.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-chloro-2-methoxyanilino)-4-oxo-2-piperazin-1-ylbutanoic acid
Also Known As: CBKinase1_006723, CBKinase1_019123, AF-399/42309183, 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid, BRD-A78521555-001-01-6
| Molecular Formula | C15H20ClN3O4 |
|---|---|
| Molecular Weight | 341.11 g/mol |
| LogP | 1.0356 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.11423 |
| Heavy Atoms | 23 |
| Complexity | 575.84045 |
Chemical Identifiers
| CAS Number | 540764-06-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)O)N2CCNCC2 |
Product Overview
3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid (CAS 540764-06-5), with molecular formula C15H20ClN3O4 and molecular weight 341.11 g/mol. IUPAC: 4-(5-chloro-2-methoxyanilino)-4-oxo-2-piperazin-1-ylbutanoic acid.
Chemical Property Profile of 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid
Property Insights of 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid
The XLogP value of 1.0356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid. Following Lipinski's Rule of Five, 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid 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 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid?
The CAS number of 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid is 540764-06-5.
What is the molecular formula of 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid?
The molecular formula of 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid is C15H20ClN3O4.
What is the molecular weight of 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid?
The molecular weight of 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid is 341.11 g/mol.
Where can I buy 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid?
You can request a quote for 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-piperazinylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.