A3258/0138469
TL;DR: A3258/0138469 (CAS 1022904-16-0) is a chemical compound with molecular formula C27H32N4O6S and molecular weight 540.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3258/0138469, ethyl 4-[({1-(4-methoxyphenyl)-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, ethyl 4-(2-(1-(4-methoxyphenyl)-3-(2-morpholinoethyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[[2-[1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C27H32N4O6S |
|---|---|
| Molecular Weight | 540.20 g/mol |
| LogP | 2.535 |
| Topological Polar Surface Area | 100.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 540.2043 |
| Heavy Atoms | 38 |
| Complexity | 1151.1627 |
Chemical Identifiers
| CAS Number | 1022904-16-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCN3CCOCC3)C4=CC=C(C=C4)OC |
Product Overview
A3258/0138469 (CAS 1022904-16-0), with molecular formula C27H32N4O6S and molecular weight 540.20 g/mol. IUPAC: ethyl 4-[[2-[1-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3258/0138469
Property Insights of A3258/0138469
The XLogP value of 2.535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3258/0138469. The TPSA of 100.65 Ų falls within the moderate polarity range, balancing permeability and solubility for A3258/0138469. Following Lipinski's Rule of Five, A3258/0138469 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3258/0138469?
The CAS number of A3258/0138469 is 1022904-16-0.
What is the molecular formula of A3258/0138469?
The molecular formula of A3258/0138469 is C27H32N4O6S.
What is the molecular weight of A3258/0138469?
The molecular weight of A3258/0138469 is 540.20 g/mol.
Where can I buy A3258/0138469?
You can request a quote for A3258/0138469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3258/0138469?
Yes, KEHONG BIO provides custom synthesis services for A3258/0138469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.