A2085/0087639
TL;DR: A2085/0087639 (CAS 330865-15-1) is a chemical compound with molecular formula C19H17FN2O3S and molecular weight 372.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxylic acid
Also Known As: A2085/0087639, (2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxylic acid, (2E)-2-[(4-FLUOROPHENYL)IMINO]-4-OXO-3-(2-PHENYLETHYL)-1,3-THIAZINANE-6-CARBOXYLIC ACID, 2-(4-fluorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxylic acid, (Z)-2-((4-fluorophenyl)imino)-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxylic acid
| Molecular Formula | C19H17FN2O3S |
|---|---|
| Molecular Weight | 372.09 g/mol |
| LogP | 3.4746 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.0944 |
| Heavy Atoms | 26 |
| Complexity | 824.4377 |
Chemical Identifiers
| CAS Number | 330865-15-1 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CCC3=CC=CC=C3)C(=O)O |
Product Overview
A2085/0087639 (CAS 330865-15-1), with molecular formula C19H17FN2O3S and molecular weight 372.09 g/mol. IUPAC: 2-(4-fluorophenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of A2085/0087639
Property Insights of A2085/0087639
The XLogP value of 3.4746 indicates that A2085/0087639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for A2085/0087639. Following Lipinski's Rule of Five, A2085/0087639 has 1 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 A2085/0087639?
The CAS number of A2085/0087639 is 330865-15-1.
What is the molecular formula of A2085/0087639?
The molecular formula of A2085/0087639 is C19H17FN2O3S.
What is the molecular weight of A2085/0087639?
The molecular weight of A2085/0087639 is 372.09 g/mol.
Where can I buy A2085/0087639?
You can request a quote for A2085/0087639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2085/0087639?
Yes, KEHONG BIO provides custom synthesis services for A2085/0087639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.