A3413/0144765
TL;DR: A3413/0144765 (CAS 1024709-83-8) 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-[[2-[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3413/0144765, methyl 4-({[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, METHYL 4-{2-[3-BENZYL-1-(4-CHLOROPHENYL)-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]ACETAMIDO}BENZOATE, methyl 4-(2-(3-benzyl-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C26H22ClN3O4S |
|---|---|
| Molecular Weight | 507.10 g/mol |
| LogP | 4.6577 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.10196 |
| Heavy Atoms | 35 |
| Complexity | 1249.8533 |
Chemical Identifiers
| CAS Number | 1024709-83-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=C3)C4=CC=C(C=C4)Cl |
Product Overview
A3413/0144765 (CAS 1024709-83-8), with molecular formula C26H22ClN3O4S and molecular weight 507.10 g/mol. IUPAC: methyl 4-[[2-[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3413/0144765
Property Insights of A3413/0144765
The XLogP value of 4.6577 indicates that A3413/0144765 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3413/0144765. Following Lipinski's Rule of Five, A3413/0144765 has 1 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 A3413/0144765?
The CAS number of A3413/0144765 is 1024709-83-8.
What is the molecular formula of A3413/0144765?
The molecular formula of A3413/0144765 is C26H22ClN3O4S.
What is the molecular weight of A3413/0144765?
The molecular weight of A3413/0144765 is 507.10 g/mol.
Where can I buy A3413/0144765?
You can request a quote for A3413/0144765 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3413/0144765?
Yes, KEHONG BIO provides custom synthesis services for A3413/0144765 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.