A3239/0137576
TL;DR: A3239/0137576 (CAS 1093633-82-9) is a chemical compound with molecular formula C20H21N3O4S2 and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3239/0137576, ethyl 4-({[1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ethyl 4-(2-(1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ETHYL 4-(2-{1-METHYL-5-OXO-2-SULFANYLIDENE-3-[(THIOPHEN-2-YL)METHYL]IMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, ethyl 4-[[2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C20H21N3O4S2 |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 2.8811 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.09735 |
| Heavy Atoms | 29 |
| Complexity | 912.3173 |
Chemical Identifiers
| CAS Number | 1093633-82-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CS3)C |
Product Overview
A3239/0137576 (CAS 1093633-82-9), with molecular formula C20H21N3O4S2 and molecular weight 431.10 g/mol. IUPAC: ethyl 4-[[2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3239/0137576
Property Insights of A3239/0137576
The XLogP value of 2.8811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3239/0137576. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3239/0137576. Following Lipinski's Rule of Five, A3239/0137576 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 A3239/0137576?
The CAS number of A3239/0137576 is 1093633-82-9.
What is the molecular formula of A3239/0137576?
The molecular formula of A3239/0137576 is C20H21N3O4S2.
What is the molecular weight of A3239/0137576?
The molecular weight of A3239/0137576 is 431.10 g/mol.
Where can I buy A3239/0137576?
You can request a quote for A3239/0137576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3239/0137576?
Yes, KEHONG BIO provides custom synthesis services for A3239/0137576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.