A3413/0144760
TL;DR: A3413/0144760 (CAS 1024019-59-7) is a chemical compound with molecular formula C28H27N3O5S and molecular weight 517.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[1-(4-methoxyphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3413/0144760, methyl 4-({[1-(4-methoxyphenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, methyl 4-(2-(1-(4-methoxyphenyl)-5-oxo-3-phenethyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-[1-(4-methoxyphenyl)-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate, METHYL 4-{2-[1-(4-METHOXYPHENYL)-5-OXO-3-(2-PHENYLETHYL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]ACETAMIDO}BENZOATE
| Molecular Formula | C28H27N3O5S |
|---|---|
| Molecular Weight | 517.17 g/mol |
| LogP | 4.0554 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 517.1671 |
| Heavy Atoms | 37 |
| Complexity | 1279.4344 |
Chemical Identifiers
| CAS Number | 1024019-59-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC |
Product Overview
A3413/0144760 (CAS 1024019-59-7), with molecular formula C28H27N3O5S and molecular weight 517.17 g/mol. IUPAC: methyl 4-[[2-[1-(4-methoxyphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3413/0144760
Property Insights of A3413/0144760
The XLogP value of 4.0554 indicates that A3413/0144760 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for A3413/0144760. Following Lipinski's Rule of Five, A3413/0144760 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 A3413/0144760?
The CAS number of A3413/0144760 is 1024019-59-7.
What is the molecular formula of A3413/0144760?
The molecular formula of A3413/0144760 is C28H27N3O5S.
What is the molecular weight of A3413/0144760?
The molecular weight of A3413/0144760 is 517.17 g/mol.
Where can I buy A3413/0144760?
You can request a quote for A3413/0144760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3413/0144760?
Yes, KEHONG BIO provides custom synthesis services for A3413/0144760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.