AB00726523-01
TL;DR: AB00726523-01 (CAS 474944-18-8) is a chemical compound with molecular formula C18H12F4N2O2S and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[2-(difluoromethoxy)phenyl]-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
Also Known As: AB00726523-01, 2-cyano-3-[2-(difluoromethoxy)phenyl]-N-{4-[(difluoromethyl)sulfanyl]phenyl}prop-2-enamide, (E)-2-cyano-3-[2-(difluoromethoxy)phenyl]-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
| Molecular Formula | C18H12F4N2O2S |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 5.14838 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.05557 |
| Heavy Atoms | 27 |
| Complexity | 864.4105 |
Chemical Identifiers
| CAS Number | 474944-18-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)SC(F)F)OC(F)F |
Product Overview
AB00726523-01 (CAS 474944-18-8), with molecular formula C18H12F4N2O2S and molecular weight 396.06 g/mol. IUPAC: (E)-2-cyano-3-[2-(difluoromethoxy)phenyl]-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide.
Chemical Property Profile of AB00726523-01
Property Insights of AB00726523-01
The XLogP value of 5.14838 indicates that AB00726523-01 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 AB00726523-01. Following Lipinski's Rule of Five, AB00726523-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00726523-01?
The CAS number of AB00726523-01 is 474944-18-8.
What is the molecular formula of AB00726523-01?
The molecular formula of AB00726523-01 is C18H12F4N2O2S.
What is the molecular weight of AB00726523-01?
The molecular weight of AB00726523-01 is 396.06 g/mol.
Where can I buy AB00726523-01?
You can request a quote for AB00726523-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00726523-01?
Yes, KEHONG BIO provides custom synthesis services for AB00726523-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.