AB00715936-01
TL;DR: AB00715936-01 (CAS 342583-17-9) is a chemical compound with molecular formula C21H19ClF3N3O and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamide
Also Known As: AB00715936-01, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(4-diethylaminophenyl)prop-2-enamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamide, (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamide
| Molecular Formula | C21H19ClF3N3O |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 5.75068 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.11688 |
| Heavy Atoms | 29 |
| Complexity | 943.12415 |
Chemical Identifiers
| CAS Number | 342583-17-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl |
Product Overview
AB00715936-01 (CAS 342583-17-9), with molecular formula C21H19ClF3N3O and molecular weight 421.12 g/mol. IUPAC: (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamide.
Chemical Property Profile of AB00715936-01
Property Insights of AB00715936-01
The XLogP value of 5.75068 indicates that AB00715936-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.13 Ų, AB00715936-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00715936-01 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 AB00715936-01?
The CAS number of AB00715936-01 is 342583-17-9.
What is the molecular formula of AB00715936-01?
The molecular formula of AB00715936-01 is C21H19ClF3N3O.
What is the molecular weight of AB00715936-01?
The molecular weight of AB00715936-01 is 421.12 g/mol.
Where can I buy AB00715936-01?
You can request a quote for AB00715936-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00715936-01?
Yes, KEHONG BIO provides custom synthesis services for AB00715936-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.