p-Chlorobenzoylaminocinnamic acid
TL;DR: p-Chlorobenzoylaminocinnamic acid (CAS 93634-57-2) is a chemical compound with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-3-(4-chlorophenyl)prop-2-enoic acid
Also Known As: p-chlorobenzoylaminocinnamic acid, BAS 00100310, (Z)-2-Benzamido-3-(4-chlorophenyl)acrylic acid, (Z)-2-Benzamido-3-(4-chlorophenyl)acrylicacid, 2-benzamido-3-(4-chlorophenyl)prop-2-enoic acid
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 93634-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | XGXSCWIUBHXDMH-UHFFFAOYSA-N |
Product Overview
p-Chlorobenzoylaminocinnamic acid (CAS 93634-57-2), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: 2-benzamido-3-(4-chlorophenyl)prop-2-enoic acid.
Chemical Property Profile of p-Chlorobenzoylaminocinnamic acid
Property Insights of p-Chlorobenzoylaminocinnamic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Chlorobenzoylaminocinnamic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Chlorobenzoylaminocinnamic acid. Following Lipinski's Rule of Five, p-Chlorobenzoylaminocinnamic acid has 2 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 p-Chlorobenzoylaminocinnamic acid?
The CAS number of p-Chlorobenzoylaminocinnamic acid is 93634-57-2.
What is the molecular formula of p-Chlorobenzoylaminocinnamic acid?
The molecular formula of p-Chlorobenzoylaminocinnamic acid is C16H12ClNO3.
What is the molecular weight of p-Chlorobenzoylaminocinnamic acid?
The molecular weight of p-Chlorobenzoylaminocinnamic acid is 301.05 g/mol.
Where can I buy p-Chlorobenzoylaminocinnamic acid?
You can request a quote for p-Chlorobenzoylaminocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Chlorobenzoylaminocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for p-Chlorobenzoylaminocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.