C16H12BrClN2O3
TL;DR: C16H12BrClN2O3 (CAS 331461-64-4) is a chemical compound with molecular formula C16H12BrClN2O3 and molecular weight 393.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-3-methylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
Also Known As: (E)-N-(4-bromo-3-methylphenyl)-3-(4-chloro-3-nitrophenyl)-2-propenamide, (E)-N-(4-bromo-3-methylphenyl)-3-(4-chloro-3-nitrophenyl)acrylamide, N-(4-bromo-3-methyl-phenyl)-3-(4-chloro-3-nitro-phenyl)prop-2-enamide, N-(4-bromo-3-methylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide, C16H12BrClN2O3
| Molecular Formula | C16H12BrClN2O3 |
|---|---|
| Molecular Weight | 393.97 g/mol |
| LogP | 4.97102 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.972 |
| Heavy Atoms | 23 |
| Complexity | 805.90753 |
Chemical Identifiers
| CAS Number | 331461-64-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br |
Product Overview
C16H12BrClN2O3 (CAS 331461-64-4), with molecular formula C16H12BrClN2O3 and molecular weight 393.97 g/mol. IUPAC: N-(4-bromo-3-methylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of C16H12BrClN2O3
Property Insights of C16H12BrClN2O3
The XLogP value of 4.97102 indicates that C16H12BrClN2O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H12BrClN2O3. Following Lipinski's Rule of Five, C16H12BrClN2O3 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 C16H12BrClN2O3?
The CAS number of C16H12BrClN2O3 is 331461-64-4.
What is the molecular formula of C16H12BrClN2O3?
The molecular formula of C16H12BrClN2O3 is C16H12BrClN2O3.
What is the molecular weight of C16H12BrClN2O3?
The molecular weight of C16H12BrClN2O3 is 393.97 g/mol.
Where can I buy C16H12BrClN2O3?
You can request a quote for C16H12BrClN2O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H12BrClN2O3?
Yes, KEHONG BIO provides custom synthesis services for C16H12BrClN2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.