A3239/0137579
TL;DR: A3239/0137579 (CAS 1024020-86-7) is a chemical compound with molecular formula C25H22FN3O4S2 and molecular weight 511.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-(4-fluorophenyl)-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3239/0137579, ethyl 4-({[1-(4-fluorophenyl)-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ETHYL 4-({2-[1-(4-FLUOROPHENYL)-5-OXO-3-(2-THIENYLMETHYL)-2-THIOXO-4-IMIDAZOLIDINYL]ACETYL}AMINO)BENZOATE, ethyl 4-(2-(1-(4-fluorophenyl)-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[[2-[1-(4-fluorophenyl)-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C25H22FN3O4S2 |
|---|---|
| Molecular Weight | 511.10 g/mol |
| LogP | 4.595 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.10358 |
| Heavy Atoms | 35 |
| Complexity | 1230.6125 |
Chemical Identifiers
| CAS Number | 1024020-86-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CS3)C4=CC=C(C=C4)F |
Product Overview
A3239/0137579 (CAS 1024020-86-7), with molecular formula C25H22FN3O4S2 and molecular weight 511.10 g/mol. IUPAC: ethyl 4-[[2-[1-(4-fluorophenyl)-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3239/0137579
Property Insights of A3239/0137579
The XLogP value of 4.595 indicates that A3239/0137579 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 A3239/0137579. Following Lipinski's Rule of Five, A3239/0137579 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3239/0137579?
The CAS number of A3239/0137579 is 1024020-86-7.
What is the molecular formula of A3239/0137579?
The molecular formula of A3239/0137579 is C25H22FN3O4S2.
What is the molecular weight of A3239/0137579?
The molecular weight of A3239/0137579 is 511.10 g/mol.
Where can I buy A3239/0137579?
You can request a quote for A3239/0137579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3239/0137579?
Yes, KEHONG BIO provides custom synthesis services for A3239/0137579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.