A3240/0137622
TL;DR: A3240/0137622 (CAS 1079334-67-0) is a chemical compound with molecular formula C29H27N3O6S and molecular weight 545.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3240/0137622, ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ETHYL 4-({2-[3-(1,3-BENZODIOXOL-5-YLMETHYL)-1-BENZYL-5-OXO-2-THIOXO-4-IMIDAZOLIDINYL]ACETYL}AMINO)BENZOATE, ethyl 4-(2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C29H27N3O6S |
|---|---|
| Molecular Weight | 545.16 g/mol |
| LogP | 4.1187 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.16205 |
| Heavy Atoms | 39 |
| Complexity | 1395.8916 |
Chemical Identifiers
| CAS Number | 1079334-67-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5 |
Product Overview
A3240/0137622 (CAS 1079334-67-0), with molecular formula C29H27N3O6S and molecular weight 545.16 g/mol. IUPAC: ethyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3240/0137622
Property Insights of A3240/0137622
The XLogP value of 4.1187 indicates that A3240/0137622 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for A3240/0137622. Following Lipinski's Rule of Five, A3240/0137622 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 A3240/0137622?
The CAS number of A3240/0137622 is 1079334-67-0.
What is the molecular formula of A3240/0137622?
The molecular formula of A3240/0137622 is C29H27N3O6S.
What is the molecular weight of A3240/0137622?
The molecular weight of A3240/0137622 is 545.16 g/mol.
Where can I buy A3240/0137622?
You can request a quote for A3240/0137622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3240/0137622?
Yes, KEHONG BIO provides custom synthesis services for A3240/0137622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.