1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate
TL;DR: 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate (CAS 56071-40-0) is a chemical compound with molecular formula C15H24Cl2N2O and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine;dihydrochloride
Also Known As: 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate, Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-, dihydrochloride, hydrate, 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine--hydrogen chloride (1/2), 1-methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride, RefChem:1055801
| Molecular Formula | C15H24Cl2N2O |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 2.9913 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.12656 |
| Heavy Atoms | 20 |
| Complexity | 408.61493 |
Chemical Identifiers
| CAS Number | 56071-40-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2CCCOC3=CC=CC=C23.Cl.Cl |
Product Overview
1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate (CAS 56071-40-0), with molecular formula C15H24Cl2N2O and molecular weight 318.13 g/mol. IUPAC: 1-methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine;dihydrochloride.
Chemical Property Profile of 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate
Property Insights of 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate
The XLogP value of 2.9913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate. With a topological polar surface area (TPSA) of 15.71 Ų, 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate has 0 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 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate?
The CAS number of 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate is 56071-40-0.
What is the molecular formula of 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate?
The molecular formula of 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate is C15H24Cl2N2O.
What is the molecular weight of 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate?
The molecular weight of 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate is 318.13 g/mol.
Where can I buy 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate?
You can request a quote for 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine dihydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.