4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide
TL;DR: 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide (CAS 791803-33-3) is a chemical compound with molecular formula C20H21ClN2O2 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(2-methylpropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
Also Known As: 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide, AN-652/43163648, 4-chloro-N-(2-methylpropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
| Molecular Formula | C20H21ClN2O2 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 4.3777 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.12915 |
| Heavy Atoms | 25 |
| Complexity | 770.52057 |
Chemical Identifiers
| CAS Number | 791803-33-3 |
|---|---|
| SMILES | CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide (CAS 791803-33-3), with molecular formula C20H21ClN2O2 and molecular weight 356.13 g/mol. IUPAC: 4-chloro-N-(2-methylpropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.
Chemical Property Profile of 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide
Property Insights of 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide
The XLogP value of 4.3777 indicates that 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide has 2 hydrogen bond donor(s) and 2 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 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide?
The CAS number of 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide is 791803-33-3.
What is the molecular formula of 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide?
The molecular formula of 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide is C20H21ClN2O2.
What is the molecular weight of 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide?
The molecular weight of 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide is 356.13 g/mol.
Where can I buy 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide?
You can request a quote for 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-(cinnamoylamino)-N-isobutylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.