![1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine structure](/static/products/3133/313377-06-9.webp)
1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine
TL;DR: 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine (CAS 313377-06-9) is a chemical compound with molecular formula C23H30N2O3 and molecular weight 382.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone
Also Known As: 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine, 1-adamantyl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone, Adamantan-1-yl(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methanone, adamantanyl 4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl ketone, (1-adamantanyl){4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl}methanone
| Molecular Formula | C23H30N2O3 |
|---|---|
| Molecular Weight | 382.23 g/mol |
| LogP | 3.2759 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.22565 |
| Heavy Atoms | 28 |
| Complexity | 748.76794 |
Chemical Identifiers
| CAS Number | 313377-06-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C45CC6CC(C4)CC(C6)C5 |
Product Overview
1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine (CAS 313377-06-9), with molecular formula C23H30N2O3 and molecular weight 382.23 g/mol. IUPAC: 1-adamantyl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone.
Chemical Property Profile of 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine
Property Insights of 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine
The XLogP value of 3.2759 indicates that 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine 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-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine?
The CAS number of 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine is 313377-06-9.
What is the molecular formula of 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine?
The molecular formula of 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine is C23H30N2O3.
What is the molecular weight of 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine?
The molecular weight of 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine is 382.23 g/mol.
Where can I buy 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine?
You can request a quote for 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(adamantane-1-carbonyl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.