AB00016219-01
TL;DR: AB00016219-01 (CAS 690247-70-2) is a chemical compound with molecular formula C20H22ClN3O3S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide
Also Known As: AB00016219-01, 4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide, F1651-0134, 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide, 4-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide
| Molecular Formula | C20H22ClN3O3S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 3.5919 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.10703 |
| Heavy Atoms | 28 |
| Complexity | 871.7696 |
Chemical Identifiers
| CAS Number | 690247-70-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
AB00016219-01 (CAS 690247-70-2), with molecular formula C20H22ClN3O3S and molecular weight 419.11 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of AB00016219-01
Property Insights of AB00016219-01
The XLogP value of 3.5919 indicates that AB00016219-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, AB00016219-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00016219-01 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 AB00016219-01?
The CAS number of AB00016219-01 is 690247-70-2.
What is the molecular formula of AB00016219-01?
The molecular formula of AB00016219-01 is C20H22ClN3O3S.
What is the molecular weight of AB00016219-01?
The molecular weight of AB00016219-01 is 419.11 g/mol.
Where can I buy AB00016219-01?
You can request a quote for AB00016219-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00016219-01?
Yes, KEHONG BIO provides custom synthesis services for AB00016219-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.