N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine (CAS 415972-48-4) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine
Also Known As: BAS 07019755, N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine, Adamantan-2-yl-benzo[1,3]dioxol-5-ylmethyl-amine, N-(2-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)amine, AN-465/41520771
| Molecular Formula | C18H23NO2 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.17288 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 415972-48-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3NCC4=CC5=C(C=C4)OCO5 |
| InChIKey | YRKZXAZWVZCNQZ-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine (CAS 415972-48-4), with molecular formula C18H23NO2 and molecular weight 285.17 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine
The XLogP value of 3.7 indicates that N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine 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 N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine is 415972-48-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine is C18H23NO2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine is 285.17 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)adamantan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.