1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine (CAS 416870-71-8) is a chemical compound with molecular formula C19H28N2O2 and molecular weight 316.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine
Also Known As: TimTec1_007496, BAS 01376844, IDI1_033150, 1-(1,3-benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine, 1-Benzo[1,3]dioxol-5-ylmethyl-4-cycloheptyl-piperazine
| Molecular Formula | C19H28N2O2 |
|---|---|
| Molecular Weight | 316.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.2151 |
| Heavy Atoms | 23 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 416870-71-8 |
|---|---|
| SMILES | C1CCCC(CC1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | TWCJHCRWIKYKOB-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine (CAS 416870-71-8), with molecular formula C19H28N2O2 and molecular weight 316.22 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine
The XLogP value of 3.9 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine 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 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine is 416870-71-8.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine is C19H28N2O2.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine is 316.22 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-cycloheptylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.