A2731/0115975
TL;DR: A2731/0115975 (CAS 405901-50-0) is a chemical compound with molecular formula C26H22ClN3O4S and molecular weight 507.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: A2731/0115975, methyl 4-({[(2Z)-3-(4-chlorobenzyl)-4-oxo-2-(phenylimino)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate, (Z)-methyl 4-(3-(4-chlorobenzyl)-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamido)benzoate, METHYL 4-[(2Z)-3-[(4-CHLOROPHENYL)METHYL]-4-OXO-2-(PHENYLIMINO)-1,3-THIAZINANE-6-AMIDO]BENZOATE, methyl 4-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate
| Molecular Formula | C26H22ClN3O4S |
|---|---|
| Molecular Weight | 507.10 g/mol |
| LogP | 5.2871 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.10196 |
| Heavy Atoms | 35 |
| Complexity | 1247.8533 |
Chemical Identifiers
| CAS Number | 405901-50-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC=C(C=C4)Cl |
Product Overview
A2731/0115975 (CAS 405901-50-0), with molecular formula C26H22ClN3O4S and molecular weight 507.10 g/mol. IUPAC: methyl 4-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of A2731/0115975
Property Insights of A2731/0115975
The XLogP value of 5.2871 indicates that A2731/0115975 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A2731/0115975. Following Lipinski's Rule of Five, A2731/0115975 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2731/0115975?
The CAS number of A2731/0115975 is 405901-50-0.
What is the molecular formula of A2731/0115975?
The molecular formula of A2731/0115975 is C26H22ClN3O4S.
What is the molecular weight of A2731/0115975?
The molecular weight of A2731/0115975 is 507.10 g/mol.
Where can I buy A2731/0115975?
You can request a quote for A2731/0115975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2731/0115975?
Yes, KEHONG BIO provides custom synthesis services for A2731/0115975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.