A3507/0148559
TL;DR: A3507/0148559 (CAS 585517-98-2) is a chemical compound with molecular formula C27H25N3O4S and molecular weight 487.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[5-oxo-1-phenyl-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3507/0148559, methyl 4-({[5-oxo-1-phenyl-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, METHYL 4-{2-[5-OXO-1-PHENYL-3-(2-PHENYLETHYL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]ACETAMIDO}BENZOATE, methyl 4-(2-(5-oxo-3-phenethyl-1-phenyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-(5-oxo-3-phenethyl-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate
| Molecular Formula | C27H25N3O4S |
|---|---|
| Molecular Weight | 487.16 g/mol |
| LogP | 4.0468 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.1566 |
| Heavy Atoms | 35 |
| Complexity | 1216.1934 |
Chemical Identifiers
| CAS Number | 585517-98-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
A3507/0148559 (CAS 585517-98-2), with molecular formula C27H25N3O4S and molecular weight 487.16 g/mol. IUPAC: methyl 4-[[2-[5-oxo-1-phenyl-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3507/0148559
Property Insights of A3507/0148559
The XLogP value of 4.0468 indicates that A3507/0148559 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 A3507/0148559. Following Lipinski's Rule of Five, A3507/0148559 has 1 hydrogen bond donor(s) and 5 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 A3507/0148559?
The CAS number of A3507/0148559 is 585517-98-2.
What is the molecular formula of A3507/0148559?
The molecular formula of A3507/0148559 is C27H25N3O4S.
What is the molecular weight of A3507/0148559?
The molecular weight of A3507/0148559 is 487.16 g/mol.
Where can I buy A3507/0148559?
You can request a quote for A3507/0148559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3507/0148559?
Yes, KEHONG BIO provides custom synthesis services for A3507/0148559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.