A3250/0138101
TL;DR: A3250/0138101 (CAS 1024594-17-9) is a chemical compound with molecular formula C28H26ClN3O4S and molecular weight 535.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-benzyl-3-[(4-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3250/0138101, ethyl 4-({[1-benzyl-3-(4-chlorobenzyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ethyl 4-(2-(1-benzyl-3-(4-chlorobenzyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ETHYL 4-({2-[1-BENZYL-3-(4-CHLOROBENZYL)-5-OXO-2-THIOXO-4-IMIDAZOLIDINYL]ACETYL}AMINO)BENZOATE, ethyl 4-[[2-[1-benzyl-3-[(4-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C28H26ClN3O4S |
|---|---|
| Molecular Weight | 535.13 g/mol |
| LogP | 5.0434 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.13324 |
| Heavy Atoms | 37 |
| Complexity | 1283.0441 |
Chemical Identifiers
| CAS Number | 1024594-17-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=C(C=C3)Cl)CC4=CC=CC=C4 |
Product Overview
A3250/0138101 (CAS 1024594-17-9), with molecular formula C28H26ClN3O4S and molecular weight 535.13 g/mol. IUPAC: ethyl 4-[[2-[1-benzyl-3-[(4-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3250/0138101
Property Insights of A3250/0138101
The XLogP value of 5.0434 indicates that A3250/0138101 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 A3250/0138101. Following Lipinski's Rule of Five, A3250/0138101 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 A3250/0138101?
The CAS number of A3250/0138101 is 1024594-17-9.
What is the molecular formula of A3250/0138101?
The molecular formula of A3250/0138101 is C28H26ClN3O4S.
What is the molecular weight of A3250/0138101?
The molecular weight of A3250/0138101 is 535.13 g/mol.
Where can I buy A3250/0138101?
You can request a quote for A3250/0138101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3250/0138101?
Yes, KEHONG BIO provides custom synthesis services for A3250/0138101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.