AS-871/43476742
TL;DR: AS-871/43476742 (CAS 696636-10-9) is a chemical compound with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
Also Known As: AS-871/43476742, A3610/0153017, 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]tetrahydrothiophene-3-ol 1,1-dioxide, 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol, 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]tetrahydro-3-thiophenol 1,1-dioxide
| Molecular Formula | C16H22N2O5S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | -0.3092 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.12494 |
| Heavy Atoms | 24 |
| Complexity | 715.178 |
Chemical Identifiers
| CAS Number | 696636-10-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CS(=O)(=O)CC4O |
Product Overview
AS-871/43476742 (CAS 696636-10-9), with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol. IUPAC: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol.
Chemical Property Profile of AS-871/43476742
Property Insights of AS-871/43476742
The XLogP value of -0.3092 indicates that AS-871/43476742 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/43476742. Following Lipinski's Rule of Five, AS-871/43476742 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 AS-871/43476742?
The CAS number of AS-871/43476742 is 696636-10-9.
What is the molecular formula of AS-871/43476742?
The molecular formula of AS-871/43476742 is C16H22N2O5S.
What is the molecular weight of AS-871/43476742?
The molecular weight of AS-871/43476742 is 354.12 g/mol.
Where can I buy AS-871/43476742?
You can request a quote for AS-871/43476742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/43476742?
Yes, KEHONG BIO provides custom synthesis services for AS-871/43476742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.