AB00713460-01
TL;DR: AB00713460-01 (CAS 750613-03-7) is a chemical compound with molecular formula C17H12F2N2O2S and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
Also Known As: AB00713460-01, (2E)-2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(4-hydroxyphenyl)prop-2-enamide, (E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
| Molecular Formula | C17H12F2N2O2S |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 4.25258 |
| Topological Polar Surface Area | 73.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.05875 |
| Heavy Atoms | 24 |
| Complexity | 781.733 |
Chemical Identifiers
| CAS Number | 750613-03-7 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)SC(F)F)O |
Product Overview
AB00713460-01 (CAS 750613-03-7), with molecular formula C17H12F2N2O2S and molecular weight 346.06 g/mol. IUPAC: (E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-enamide.
Chemical Property Profile of AB00713460-01
Property Insights of AB00713460-01
The XLogP value of 4.25258 indicates that AB00713460-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00713460-01. Following Lipinski's Rule of Five, AB00713460-01 has 2 hydrogen bond donor(s) and 4 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 AB00713460-01?
The CAS number of AB00713460-01 is 750613-03-7.
What is the molecular formula of AB00713460-01?
The molecular formula of AB00713460-01 is C17H12F2N2O2S.
What is the molecular weight of AB00713460-01?
The molecular weight of AB00713460-01 is 346.06 g/mol.
Where can I buy AB00713460-01?
You can request a quote for AB00713460-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00713460-01?
Yes, KEHONG BIO provides custom synthesis services for AB00713460-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.