BRD-A84734429-001-15-1
TL;DR: BRD-A84734429-001-15-1 (CAS 1093633-45-4) is a chemical compound with molecular formula C21H20FN3O4S and molecular weight 429.12 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-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
Also Known As: BRD-A84734429-001-15-1, 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide, 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide, 2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide, 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-fluorophenyl)acetamide
| Molecular Formula | C21H20FN3O4S |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 2.9008 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.11584 |
| Heavy Atoms | 30 |
| Complexity | 998.24603 |
Chemical Identifiers
| CAS Number | 1093633-45-4 |
|---|---|
| SMILES | CCN1C(=O)C(N(C1=S)CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)F |
Product Overview
BRD-A84734429-001-15-1 (CAS 1093633-45-4), with molecular formula C21H20FN3O4S and molecular weight 429.12 g/mol. IUPAC: 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of BRD-A84734429-001-15-1
Property Insights of BRD-A84734429-001-15-1
The XLogP value of 2.9008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-A84734429-001-15-1. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A84734429-001-15-1. Following Lipinski's Rule of Five, BRD-A84734429-001-15-1 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 BRD-A84734429-001-15-1?
The CAS number of BRD-A84734429-001-15-1 is 1093633-45-4.
What is the molecular formula of BRD-A84734429-001-15-1?
The molecular formula of BRD-A84734429-001-15-1 is C21H20FN3O4S.
What is the molecular weight of BRD-A84734429-001-15-1?
The molecular weight of BRD-A84734429-001-15-1 is 429.12 g/mol.
Where can I buy BRD-A84734429-001-15-1?
You can request a quote for BRD-A84734429-001-15-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A84734429-001-15-1?
Yes, KEHONG BIO provides custom synthesis services for BRD-A84734429-001-15-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.