A3259/0138529
TL;DR: A3259/0138529 (CAS 1022922-25-3) is a chemical compound with molecular formula C28H28N4O5S and molecular weight 532.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
Also Known As: A3259/0138529, ethyl 4-[4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl]benzoate, ethyl 4-(4-(2-((4-ethoxyphenyl)amino)-2-oxoethyl)-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-1-yl)benzoate, ETHYL 4-[4-[2-(4-ETHOXYANILINO)-2-OXOETHYL]-5-OXO-3-(3-PYRIDYLMETHYL)-2-THIOXO-1-IMIDAZOLIDINYL]BENZOATE, ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
| Molecular Formula | C28H28N4O5S |
|---|---|
| Molecular Weight | 532.18 g/mol |
| LogP | 4.1881 |
| Topological Polar Surface Area | 101.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 532.17804 |
| Heavy Atoms | 38 |
| Complexity | 1299.084 |
Chemical Identifiers
| CAS Number | 1022922-25-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CN=CC=C3)C4=CC=C(C=C4)C(=O)OCC |
Product Overview
A3259/0138529 (CAS 1022922-25-3), with molecular formula C28H28N4O5S and molecular weight 532.18 g/mol. IUPAC: ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate.
Chemical Property Profile of A3259/0138529
Property Insights of A3259/0138529
The XLogP value of 4.1881 indicates that A3259/0138529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A3259/0138529. Following Lipinski's Rule of Five, A3259/0138529 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3259/0138529?
The CAS number of A3259/0138529 is 1022922-25-3.
What is the molecular formula of A3259/0138529?
The molecular formula of A3259/0138529 is C28H28N4O5S.
What is the molecular weight of A3259/0138529?
The molecular weight of A3259/0138529 is 532.18 g/mol.
Where can I buy A3259/0138529?
You can request a quote for A3259/0138529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3259/0138529?
Yes, KEHONG BIO provides custom synthesis services for A3259/0138529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.