RefChem:340986
TL;DR: RefChem:340986 (CAS 67367-82-2) is a chemical compound with molecular formula C19H28Cl2N2O and molecular weight 370.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
Also Known As: C19H26N2O.2ClH.1/2H2O, C19-H26-N2-O.2Cl-H.1/2H2-O, Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methyl-1-piperazinyl)-, hydrochloride,hydrate (2:4:1), 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-methyl-1-piperazinyl)ethanone 2HCl hemihydrate, 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(4-methylpiperazin-1-yl)ethanonedihydrochloride
| Molecular Formula | C19H28Cl2N2O |
|---|---|
| Molecular Weight | 370.16 g/mol |
| LogP | 2.94 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.15787 |
| Heavy Atoms | 24 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 67367-82-2 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.Cl.Cl |
| InChIKey | GPCSWNCXYZNRIA-UHFFFAOYSA-N |
Product Overview
RefChem:340986 (CAS 67367-82-2), with molecular formula C19H28Cl2N2O and molecular weight 370.16 g/mol. IUPAC: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpiperazin-1-yl)ethanone;dihydrochloride.
Chemical Property Profile of RefChem:340986
Property Insights of RefChem:340986
The XLogP value of 2.94 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:340986. With a topological polar surface area (TPSA) of 23.6 Ų, RefChem:340986 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:340986 has 2 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 RefChem:340986?
The CAS number of RefChem:340986 is 67367-82-2.
What is the molecular formula of RefChem:340986?
The molecular formula of RefChem:340986 is C19H28Cl2N2O.
What is the molecular weight of RefChem:340986?
The molecular weight of RefChem:340986 is 370.16 g/mol.
Where can I buy RefChem:340986?
You can request a quote for RefChem:340986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340986?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.