BAS 05888690
TL;DR: BAS 05888690 (CAS 616212-07-8) is a chemical compound with molecular formula C20H24Cl2N2O3 and molecular weight 410.12 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-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methanone
Also Known As: BAS 05888690, AF-399/41703955, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methanone, 1-(1,3-benzodioxol-5-ylmethyl)-4-{[3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}piperazine
| Molecular Formula | C20H24Cl2N2O3 |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 3.6507 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.1164 |
| Heavy Atoms | 27 |
| Complexity | 768.49036 |
Chemical Identifiers
| CAS Number | 616212-07-8 |
|---|---|
| SMILES | CC1(C(C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C=C(Cl)Cl)C |
Product Overview
BAS 05888690 (CAS 616212-07-8), with molecular formula C20H24Cl2N2O3 and molecular weight 410.12 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methanone.
Chemical Property Profile of BAS 05888690
Property Insights of BAS 05888690
The XLogP value of 3.6507 indicates that BAS 05888690 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, BAS 05888690 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 05888690 has 0 hydrogen bond donor(s) and 4 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 BAS 05888690?
The CAS number of BAS 05888690 is 616212-07-8.
What is the molecular formula of BAS 05888690?
The molecular formula of BAS 05888690 is C20H24Cl2N2O3.
What is the molecular weight of BAS 05888690?
The molecular weight of BAS 05888690 is 410.12 g/mol.
Where can I buy BAS 05888690?
You can request a quote for BAS 05888690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05888690?
Yes, KEHONG BIO provides custom synthesis services for BAS 05888690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.