Benzofuran, 6-chloro-
TL;DR: Benzofuran, 6-chloro- (CAS 80761-12-2) is a chemical compound with molecular formula C22H36Cl2N2O and molecular weight 414.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)butyl]piperazin-1-yl]ethanol;dihydrochloride
Also Known As: Benzofuran, 6-chloro-, 1-Piperazineethanol, 4-(4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)butyl)-, dihydrochloride, 1-Piperazineethanol,4-(4- -,dihydrochloride, 4-(4-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)butyl)-1-piperazineethanol dihydrochloride, 2-[4-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)butyl]piperazin-1-yl]ethanol dihydrochloride
| Molecular Formula | C22H36Cl2N2O |
|---|---|
| Molecular Weight | 414.22 g/mol |
| LogP | 3.4402 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.22046 |
| Heavy Atoms | 27 |
| Complexity | 568.2158 |
Chemical Identifiers
| CAS Number | 80761-12-2 |
|---|---|
| SMILES | C1CC2=CC3=C(CCC3)C(=C2C1)CCCCN4CCN(CC4)CCO.Cl.Cl |
Product Overview
Benzofuran, 6-chloro- (CAS 80761-12-2), with molecular formula C22H36Cl2N2O and molecular weight 414.22 g/mol. IUPAC: 2-[4-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)butyl]piperazin-1-yl]ethanol;dihydrochloride.
Chemical Property Profile of Benzofuran, 6-chloro-
Property Insights of Benzofuran, 6-chloro-
The XLogP value of 3.4402 indicates that Benzofuran, 6-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.71 Ų, Benzofuran, 6-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzofuran, 6-chloro- has 1 hydrogen bond donor(s) and 3 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 Benzofuran, 6-chloro-?
The CAS number of Benzofuran, 6-chloro- is 80761-12-2.
What is the molecular formula of Benzofuran, 6-chloro-?
The molecular formula of Benzofuran, 6-chloro- is C22H36Cl2N2O.
What is the molecular weight of Benzofuran, 6-chloro-?
The molecular weight of Benzofuran, 6-chloro- is 414.22 g/mol.
Where can I buy Benzofuran, 6-chloro-?
You can request a quote for Benzofuran, 6-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofuran, 6-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzofuran, 6-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.