AB00738569-01
TL;DR: AB00738569-01 (CAS 848291-70-3) is a chemical compound with molecular formula C15H12ClFN2O3S and molecular weight 354.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: AB00738569-01, [(4-chloro-2-fluorophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C15H12ClFN2O3S |
|---|---|
| Molecular Weight | 354.02 g/mol |
| LogP | 3.3915 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0241 |
| Heavy Atoms | 23 |
| Complexity | 742.412 |
Chemical Identifiers
| CAS Number | 848291-70-3 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F |
Product Overview
AB00738569-01 (CAS 848291-70-3), with molecular formula C15H12ClFN2O3S and molecular weight 354.02 g/mol. IUPAC: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of AB00738569-01
Property Insights of AB00738569-01
The XLogP value of 3.3915 indicates that AB00738569-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00738569-01. Following Lipinski's Rule of Five, AB00738569-01 has 1 hydrogen bond donor(s) and 5 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 AB00738569-01?
The CAS number of AB00738569-01 is 848291-70-3.
What is the molecular formula of AB00738569-01?
The molecular formula of AB00738569-01 is C15H12ClFN2O3S.
What is the molecular weight of AB00738569-01?
The molecular weight of AB00738569-01 is 354.02 g/mol.
Where can I buy AB00738569-01?
You can request a quote for AB00738569-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00738569-01?
Yes, KEHONG BIO provides custom synthesis services for AB00738569-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.