A2657/0113254
TL;DR: A2657/0113254 (CAS 442536-55-2) is a chemical compound with molecular formula C25H19Cl2N3O4S and molecular weight 527.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-chlorophenyl)imino-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A2657/0113254, 4-[({(2Z)-3-(4-chlorobenzyl)-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, (Z)-4-(3-(4-chlorobenzyl)-2-((4-chlorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-({2-[(4-chlorophenyl)azamethylene]-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thia zaperhydroin-6-yl}carbonylamino)benzoic acid, 4-[({3-(4-chlorobenzyl)-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid
| Molecular Formula | C25H19Cl2N3O4S |
|---|---|
| Molecular Weight | 527.05 g/mol |
| LogP | 5.8521 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.0473 |
| Heavy Atoms | 35 |
| Complexity | 1279.5739 |
Chemical Identifiers
| CAS Number | 442536-55-2 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)Cl)N(C1=O)CC3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
A2657/0113254 (CAS 442536-55-2), with molecular formula C25H19Cl2N3O4S and molecular weight 527.05 g/mol. IUPAC: 4-[[2-(4-chlorophenyl)imino-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of A2657/0113254
Property Insights of A2657/0113254
The XLogP value of 5.8521 indicates that A2657/0113254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A2657/0113254. Following Lipinski's Rule of Five, A2657/0113254 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2657/0113254?
The CAS number of A2657/0113254 is 442536-55-2.
What is the molecular formula of A2657/0113254?
The molecular formula of A2657/0113254 is C25H19Cl2N3O4S.
What is the molecular weight of A2657/0113254?
The molecular weight of A2657/0113254 is 527.05 g/mol.
Where can I buy A2657/0113254?
You can request a quote for A2657/0113254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2657/0113254?
Yes, KEHONG BIO provides custom synthesis services for A2657/0113254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.