Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo-
TL;DR: Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo- (CAS 49832-45-3) is a chemical compound with molecular formula C18H31NO and molecular weight 277.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(diethylamino)but-2-ynyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Also Known As: exo-2-(4-(Diethylamino)-2-butynyl)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol, BICYCLO(2.2.1)HEPTAN-2-OL, 2-(4-(DIETHYLAMINO)-2-BUTYNYL)-1,7,7-TRIMETHYL-, exo-, 3-[4-(diethylamino)but-2-ynyl]-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol, 2-[4-(Diethylamino)but-2-yn-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, BRN 2109240
| Molecular Formula | C18H31NO |
|---|---|
| Molecular Weight | 277.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.24057 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 49832-45-3 |
|---|---|
| SMILES | CCN(CC)CC#CCC1(CC2CCC1(C2(C)C)C)O |
| InChIKey | BEUILPZTNBTKFM-UHFFFAOYSA-N |
Product Overview
Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo- (CAS 49832-45-3), with molecular formula C18H31NO and molecular weight 277.24 g/mol. IUPAC: 2-[4-(diethylamino)but-2-ynyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
Chemical Property Profile of Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo-
Property Insights of Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo-
The XLogP value of 3.6 indicates that Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo- has 1 hydrogen bond donor(s) and 2 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 Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo-?
The CAS number of Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo- is 49832-45-3.
What is the molecular formula of Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo-?
The molecular formula of Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo- is C18H31NO.
What is the molecular weight of Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo-?
The molecular weight of Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo- is 277.24 g/mol.
Where can I buy Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo-?
You can request a quote for Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(2.2.1)heptan-2-ol, 2-(4-(diethylamino)-2-butynyl)-1,7,7-trimethyl-, exo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.