A3412/0144733
TL;DR: A3412/0144733 (CAS 1024018-06-1) is a chemical compound with molecular formula C27H25N3O5S and molecular weight 503.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
Also Known As: A3412/0144733, 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide, 2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-methoxyphenyl)acetamide, 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide, 2-{3-[(2H-13-BENZODIOXOL-5-YL)METHYL]-1-BENZYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}-N-(4-METHOXYPHENYL)ACETAMIDE
| Molecular Formula | C27H25N3O5S |
|---|---|
| Molecular Weight | 503.15 g/mol |
| LogP | 3.9506 |
| Topological Polar Surface Area | 80.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.1515 |
| Heavy Atoms | 36 |
| Complexity | 1282.3264 |
Chemical Identifiers
| CAS Number | 1024018-06-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5 |
Product Overview
A3412/0144733 (CAS 1024018-06-1), with molecular formula C27H25N3O5S and molecular weight 503.15 g/mol. IUPAC: 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of A3412/0144733
Property Insights of A3412/0144733
The XLogP value of 3.9506 indicates that A3412/0144733 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A3412/0144733. Following Lipinski's Rule of Five, A3412/0144733 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 A3412/0144733?
The CAS number of A3412/0144733 is 1024018-06-1.
What is the molecular formula of A3412/0144733?
The molecular formula of A3412/0144733 is C27H25N3O5S.
What is the molecular weight of A3412/0144733?
The molecular weight of A3412/0144733 is 503.15 g/mol.
Where can I buy A3412/0144733?
You can request a quote for A3412/0144733 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3412/0144733?
Yes, KEHONG BIO provides custom synthesis services for A3412/0144733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.