A2085/0087646
TL;DR: A2085/0087646 (CAS 330865-18-4) is a chemical compound with molecular formula C19H15FN2O5S and molecular weight 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid
Also Known As: A2085/0087646, 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid, (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid, (2Z)-3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-[(4-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-CARBOXYLIC ACID, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxylic acid
| Molecular Formula | C19H15FN2O5S |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 3.1608 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.06857 |
| Heavy Atoms | 28 |
| Complexity | 963.2964 |
Chemical Identifiers
| CAS Number | 330865-18-4 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)O |
Product Overview
A2085/0087646 (CAS 330865-18-4), with molecular formula C19H15FN2O5S and molecular weight 402.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of A2085/0087646
Property Insights of A2085/0087646
The XLogP value of 3.1608 indicates that A2085/0087646 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for A2085/0087646. Following Lipinski's Rule of Five, A2085/0087646 has 1 hydrogen bond donor(s) and 6 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 A2085/0087646?
The CAS number of A2085/0087646 is 330865-18-4.
What is the molecular formula of A2085/0087646?
The molecular formula of A2085/0087646 is C19H15FN2O5S.
What is the molecular weight of A2085/0087646?
The molecular weight of A2085/0087646 is 402.07 g/mol.
Where can I buy A2085/0087646?
You can request a quote for A2085/0087646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2085/0087646?
Yes, KEHONG BIO provides custom synthesis services for A2085/0087646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.