4-(Dimethylamino)adamantan-1-yl diphenylacetate
TL;DR: 4-(Dimethylamino)adamantan-1-yl diphenylacetate (CAS 63382-17-2) is a chemical compound with molecular formula C26H31NO2 and molecular weight 389.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylamino)-1-adamantyl] 2,2-diphenylacetate
Also Known As: 1-Diphenylacetoxy-4-dimethylaminoadamantane, 4-(Dimethylamino)adamantan-1-yl diphenylacetate, [4-(dimethylamino)-1-adamantyl] 2,2-diphenylacetate, Benzeneacetic acid, alpha-phenyl-4-(dimethylamino)tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester, RefChem:1070108
| Molecular Formula | C26H31NO2 |
|---|---|
| Molecular Weight | 389.24 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.23547 |
| Heavy Atoms | 29 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 63382-17-2 |
|---|---|
| SMILES | CN(C)C1C2CC3CC1CC(C3)(C2)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | HXYCLZCFMFFDOM-UHFFFAOYSA-N |
Product Overview
4-(Dimethylamino)adamantan-1-yl diphenylacetate (CAS 63382-17-2), with molecular formula C26H31NO2 and molecular weight 389.24 g/mol. IUPAC: [4-(dimethylamino)-1-adamantyl] 2,2-diphenylacetate.
Chemical Property Profile of 4-(Dimethylamino)adamantan-1-yl diphenylacetate
Property Insights of 4-(Dimethylamino)adamantan-1-yl diphenylacetate
The XLogP value of 5.3 indicates that 4-(Dimethylamino)adamantan-1-yl diphenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4-(Dimethylamino)adamantan-1-yl diphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)adamantan-1-yl diphenylacetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Dimethylamino)adamantan-1-yl diphenylacetate?
The CAS number of 4-(Dimethylamino)adamantan-1-yl diphenylacetate is 63382-17-2.
What is the molecular formula of 4-(Dimethylamino)adamantan-1-yl diphenylacetate?
The molecular formula of 4-(Dimethylamino)adamantan-1-yl diphenylacetate is C26H31NO2.
What is the molecular weight of 4-(Dimethylamino)adamantan-1-yl diphenylacetate?
The molecular weight of 4-(Dimethylamino)adamantan-1-yl diphenylacetate is 389.24 g/mol.
Where can I buy 4-(Dimethylamino)adamantan-1-yl diphenylacetate?
You can request a quote for 4-(Dimethylamino)adamantan-1-yl diphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)adamantan-1-yl diphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)adamantan-1-yl diphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.