AB00721352-01
TL;DR: AB00721352-01 (CAS 345243-76-7) is a chemical compound with molecular formula C18H11BrClF3N2O2 and molecular weight 457.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromo-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
Also Known As: AB00721352-01, 3-(3-bromo-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide, (E)-3-(3-bromo-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide, 3-(3-bromo-4-methoxy-phenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-prop-2-enamide
| Molecular Formula | C18H11BrClF3N2O2 |
|---|---|
| Molecular Weight | 457.96 g/mol |
| LogP | 5.67558 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.96445 |
| Heavy Atoms | 27 |
| Complexity | 952.5985 |
Chemical Identifiers
| CAS Number | 345243-76-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Br |
Product Overview
AB00721352-01 (CAS 345243-76-7), with molecular formula C18H11BrClF3N2O2 and molecular weight 457.96 g/mol. IUPAC: (E)-3-(3-bromo-4-methoxyphenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide.
Chemical Property Profile of AB00721352-01
Property Insights of AB00721352-01
The XLogP value of 5.67558 indicates that AB00721352-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00721352-01. Following Lipinski's Rule of Five, AB00721352-01 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00721352-01?
The CAS number of AB00721352-01 is 345243-76-7.
What is the molecular formula of AB00721352-01?
The molecular formula of AB00721352-01 is C18H11BrClF3N2O2.
What is the molecular weight of AB00721352-01?
The molecular weight of AB00721352-01 is 457.96 g/mol.
Where can I buy AB00721352-01?
You can request a quote for AB00721352-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00721352-01?
Yes, KEHONG BIO provides custom synthesis services for AB00721352-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.