AS-871/42217007
TL;DR: AS-871/42217007 (CAS 620571-74-6) is a chemical compound with molecular formula C21H18ClFN2O3S and molecular weight 432.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-6-fluoro-1-benzothiophen-2-yl)methanone
Also Known As: AS-871/42217007, 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]piperazine, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-6-fluoro-1-benzothiophen-2-yl)methanone, [4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-6-fluoro-benzothiophen-2-yl)methanone
| Molecular Formula | C21H18ClFN2O3S |
|---|---|
| Molecular Weight | 432.07 g/mol |
| LogP | 4.3805 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.07108 |
| Heavy Atoms | 29 |
| Complexity | 1094.9648 |
Chemical Identifiers
| CAS Number | 620571-74-6 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl |
Product Overview
AS-871/42217007 (CAS 620571-74-6), with molecular formula C21H18ClFN2O3S and molecular weight 432.07 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-6-fluoro-1-benzothiophen-2-yl)methanone.
Chemical Property Profile of AS-871/42217007
Property Insights of AS-871/42217007
The XLogP value of 4.3805 indicates that AS-871/42217007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, AS-871/42217007 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AS-871/42217007 has 0 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 AS-871/42217007?
The CAS number of AS-871/42217007 is 620571-74-6.
What is the molecular formula of AS-871/42217007?
The molecular formula of AS-871/42217007 is C21H18ClFN2O3S.
What is the molecular weight of AS-871/42217007?
The molecular weight of AS-871/42217007 is 432.07 g/mol.
Where can I buy AS-871/42217007?
You can request a quote for AS-871/42217007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42217007?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42217007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.