![Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate structure](/static/products/1308/13083-68-6.webp)
Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate
TL;DR: Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate (CAS 13083-68-6) is a chemical compound with molecular formula C20H29NO2 and molecular weight 315.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(dimethylamino)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate
Also Known As: Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate, [5-(dimethylaminomethyl)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptyl] Benzoate, [2-(dimethylaminomethyl)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] benzoate, 3-[(Dimethylamino)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl benzoate
| Molecular Formula | C20H29NO2 |
|---|---|
| Molecular Weight | 315.22 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.21982 |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 13083-68-6 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2CN(C)C)OC(=O)C3=CC=CC=C3)C)C |
| InChIKey | AORWTHWPCIEOFC-UHFFFAOYSA-N |
Product Overview
Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate (CAS 13083-68-6), with molecular formula C20H29NO2 and molecular weight 315.22 g/mol. IUPAC: [3-[(dimethylamino)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate.
Chemical Property Profile of Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate
Property Insights of Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate
The XLogP value of 4.7 indicates that Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate has 0 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 Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate?
The CAS number of Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate is 13083-68-6.
What is the molecular formula of Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate?
The molecular formula of Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate is C20H29NO2.
What is the molecular weight of Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate?
The molecular weight of Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate is 315.22 g/mol.
Where can I buy Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate?
You can request a quote for Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate 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, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.1]heptan-2-ol, 3-[(dimethylamino)methyl]-1,7,7-trimethyl-, 2-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.