A3239/0137577
TL;DR: A3239/0137577 (CAS 1024592-95-7) is a chemical compound with molecular formula C21H23N3O4S2 and molecular weight 445.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3239/0137577, ethyl 4-({[1-ethyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ethyl 4-(2-(1-ethyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ETHYL 4-(2-{1-ETHYL-5-OXO-2-SULFANYLIDENE-3-[(THIOPHEN-2-YL)METHYL]IMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, ethyl 4-[[2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C21H23N3O4S2 |
|---|---|
| Molecular Weight | 445.11 g/mol |
| LogP | 3.2712 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.113 |
| Heavy Atoms | 30 |
| Complexity | 928.2379 |
Chemical Identifiers
| CAS Number | 1024592-95-7 |
|---|---|
| SMILES | CCN1C(=O)C(N(C1=S)CC2=CC=CS2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC |
Product Overview
A3239/0137577 (CAS 1024592-95-7), with molecular formula C21H23N3O4S2 and molecular weight 445.11 g/mol. IUPAC: ethyl 4-[[2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3239/0137577
Property Insights of A3239/0137577
The XLogP value of 3.2712 indicates that A3239/0137577 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 A3239/0137577. Following Lipinski's Rule of Five, A3239/0137577 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3239/0137577?
The CAS number of A3239/0137577 is 1024592-95-7.
What is the molecular formula of A3239/0137577?
The molecular formula of A3239/0137577 is C21H23N3O4S2.
What is the molecular weight of A3239/0137577?
The molecular weight of A3239/0137577 is 445.11 g/mol.
Where can I buy A3239/0137577?
You can request a quote for A3239/0137577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3239/0137577?
Yes, KEHONG BIO provides custom synthesis services for A3239/0137577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.