A3413/0144768
TL;DR: A3413/0144768 (CAS 1024595-87-6) is a chemical compound with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(3-benzyl-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate
Also Known As: A3413/0144768, methyl 4-{[(3-benzyl-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl)acetyl]amino}benzoate, methyl 4-(2-(3-benzyl-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-(3-benzyl-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate, METHYL 4-[2-(3-BENZYL-1-ETHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL)ACETAMIDO]BENZOATE
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 2.8196 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 946.6148 |
Chemical Identifiers
| CAS Number | 1024595-87-6 |
|---|---|
| SMILES | CCN1C(=O)C(N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
A3413/0144768 (CAS 1024595-87-6), with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol. IUPAC: methyl 4-[[2-(3-benzyl-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate.
Chemical Property Profile of A3413/0144768
Property Insights of A3413/0144768
The XLogP value of 2.8196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3413/0144768. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3413/0144768. Following Lipinski's Rule of Five, A3413/0144768 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 A3413/0144768?
The CAS number of A3413/0144768 is 1024595-87-6.
What is the molecular formula of A3413/0144768?
The molecular formula of A3413/0144768 is C22H23N3O4S.
What is the molecular weight of A3413/0144768?
The molecular weight of A3413/0144768 is 425.14 g/mol.
Where can I buy A3413/0144768?
You can request a quote for A3413/0144768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3413/0144768?
Yes, KEHONG BIO provides custom synthesis services for A3413/0144768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.