A3413/0144763
TL;DR: A3413/0144763 (CAS 1023936-28-8) is a chemical compound with molecular formula C26H21Cl2N3O4S and molecular weight 541.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[1-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3413/0144763, methyl 4-({[3-(4-chlorobenzyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, methyl 4-(2-(3-(4-chlorobenzyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-[1-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate, METHYL 4-{2-[1-(4-CHLOROPHENYL)-3-[(4-CHLOROPHENYL)METHYL]-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]ACETAMIDO}BENZOATE
| Molecular Formula | C26H21Cl2N3O4S |
|---|---|
| Molecular Weight | 541.06 g/mol |
| LogP | 5.3111 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.063 |
| Heavy Atoms | 36 |
| Complexity | 1298.2744 |
Chemical Identifiers
| CAS Number | 1023936-28-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
Product Overview
A3413/0144763 (CAS 1023936-28-8), with molecular formula C26H21Cl2N3O4S and molecular weight 541.06 g/mol. IUPAC: methyl 4-[[2-[1-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3413/0144763
Property Insights of A3413/0144763
The XLogP value of 5.3111 indicates that A3413/0144763 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 A3413/0144763. Following Lipinski's Rule of Five, A3413/0144763 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 A3413/0144763?
The CAS number of A3413/0144763 is 1023936-28-8.
What is the molecular formula of A3413/0144763?
The molecular formula of A3413/0144763 is C26H21Cl2N3O4S.
What is the molecular weight of A3413/0144763?
The molecular weight of A3413/0144763 is 541.06 g/mol.
Where can I buy A3413/0144763?
You can request a quote for A3413/0144763 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3413/0144763?
Yes, KEHONG BIO provides custom synthesis services for A3413/0144763 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.