ChemDiv1_002958
TL;DR: ChemDiv1_002958 (CAS 442536-79-0) is a chemical compound with molecular formula C26H22ClN3O5S and molecular weight 523.10 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-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: ChemDiv1_002958, 4-({[(2Z)-2-[(4-chlorophenyl)imino]-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid, (Z)-4-(2-((4-chlorophenyl)imino)-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[(2Z)-2-[(4-CHLOROPHENYL)IMINO]-3-[(4-METHOXYPHENYL)METHYL]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID, 4-[[2-(4-chlorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C26H22ClN3O5S |
|---|---|
| Molecular Weight | 523.10 g/mol |
| LogP | 5.2073 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.09686 |
| Heavy Atoms | 36 |
| Complexity | 1294.6648 |
Chemical Identifiers
| CAS Number | 442536-79-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)CC(SC2=NC3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
ChemDiv1_002958 (CAS 442536-79-0), with molecular formula C26H22ClN3O5S and molecular weight 523.10 g/mol. IUPAC: 4-[[2-(4-chlorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_002958
Property Insights of ChemDiv1_002958
The XLogP value of 5.2073 indicates that ChemDiv1_002958 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002958. Following Lipinski's Rule of Five, ChemDiv1_002958 has 2 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 ChemDiv1_002958?
The CAS number of ChemDiv1_002958 is 442536-79-0.
What is the molecular formula of ChemDiv1_002958?
The molecular formula of ChemDiv1_002958 is C26H22ClN3O5S.
What is the molecular weight of ChemDiv1_002958?
The molecular weight of ChemDiv1_002958 is 523.10 g/mol.
Where can I buy ChemDiv1_002958?
You can request a quote for ChemDiv1_002958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002958?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.