A3246/0137887
TL;DR: A3246/0137887 (CAS 1025012-72-9) is a chemical compound with molecular formula C24H25N3O6S and molecular weight 483.15 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-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3246/0137887, ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, ethyl 4-(2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ETHYL 4-(2-{3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-ETHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, ethyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C24H25N3O6S |
|---|---|
| Molecular Weight | 483.15 g/mol |
| LogP | 2.9384 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.1464 |
| Heavy Atoms | 34 |
| Complexity | 1120.1914 |
Chemical Identifiers
| CAS Number | 1025012-72-9 |
|---|---|
| SMILES | CCN1C(=O)C(N(C1=S)CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)C(=O)OCC |
Product Overview
A3246/0137887 (CAS 1025012-72-9), with molecular formula C24H25N3O6S and molecular weight 483.15 g/mol. IUPAC: ethyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3246/0137887
Property Insights of A3246/0137887
The XLogP value of 2.9384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3246/0137887. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for A3246/0137887. Following Lipinski's Rule of Five, A3246/0137887 has 1 hydrogen bond donor(s) and 7 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 A3246/0137887?
The CAS number of A3246/0137887 is 1025012-72-9.
What is the molecular formula of A3246/0137887?
The molecular formula of A3246/0137887 is C24H25N3O6S.
What is the molecular weight of A3246/0137887?
The molecular weight of A3246/0137887 is 483.15 g/mol.
Where can I buy A3246/0137887?
You can request a quote for A3246/0137887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3246/0137887?
Yes, KEHONG BIO provides custom synthesis services for A3246/0137887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.