A2731/0115974
TL;DR: A2731/0115974 (CAS 405901-35-1) is a chemical compound with molecular formula C24H19ClFN3O2S and molecular weight 467.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
Also Known As: A2731/0115974, (2Z)-3-(4-chlorobenzyl)-N-(4-fluorophenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide, (2Z)-3-[(4-CHLOROPHENYL)METHYL]-N-(4-FLUOROPHENYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZINANE-6-CARBOXAMIDE, (Z)-3-(4-chlorobenzyl)-N-(4-fluorophenyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide, 3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
| Molecular Formula | C24H19ClFN3O2S |
|---|---|
| Molecular Weight | 467.09 g/mol |
| LogP | 5.6396 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.08707 |
| Heavy Atoms | 32 |
| Complexity | 1138.1707 |
Chemical Identifiers
| CAS Number | 405901-35-1 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC=C2)N(C1=O)CC3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)F |
Product Overview
A2731/0115974 (CAS 405901-35-1), with molecular formula C24H19ClFN3O2S and molecular weight 467.09 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of A2731/0115974
Property Insights of A2731/0115974
The XLogP value of 5.6396 indicates that A2731/0115974 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for A2731/0115974. Following Lipinski's Rule of Five, A2731/0115974 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 A2731/0115974?
The CAS number of A2731/0115974 is 405901-35-1.
What is the molecular formula of A2731/0115974?
The molecular formula of A2731/0115974 is C24H19ClFN3O2S.
What is the molecular weight of A2731/0115974?
The molecular weight of A2731/0115974 is 467.09 g/mol.
Where can I buy A2731/0115974?
You can request a quote for A2731/0115974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2731/0115974?
Yes, KEHONG BIO provides custom synthesis services for A2731/0115974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.