2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride
TL;DR: 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride (CAS 1687-85-0) is a chemical compound with molecular formula C20H30ClNO2 and molecular weight 351.20 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;hydrochloride
Also Known As: 3-((Dimethylamino)methyl)-2-bornanol benzoate hydrochloride, 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride, 3-[(dimethylamino)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl benzoate hydrochloride(1:1), [2-(dimethylaminomethyl)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] benzoate hydrochloride, 3-[(Dimethylamino)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl benzoate--hydrogen chloride (1/1)
| Molecular Formula | C20H30ClNO2 |
|---|---|
| Molecular Weight | 351.20 g/mol |
| LogP | 4.27 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.1965 |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 1687-85-0 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2CN(C)C)OC(=O)C3=CC=CC=C3)C)C.Cl |
| InChIKey | DLCKHHNMGCKBQU-UHFFFAOYSA-N |
Product Overview
2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride (CAS 1687-85-0), with molecular formula C20H30ClNO2 and molecular weight 351.20 g/mol. IUPAC: [3-[(dimethylamino)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate;hydrochloride.
Chemical Property Profile of 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride
Property Insights of 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride
The XLogP value of 4.27 indicates that 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride 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 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride?
The CAS number of 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride is 1687-85-0.
What is the molecular formula of 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride?
The molecular formula of 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride is C20H30ClNO2.
What is the molecular weight of 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride?
The molecular weight of 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride is 351.20 g/mol.
Where can I buy 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride?
You can request a quote for 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Bornanol, 3-((dimethylamino)methyl)-, benzoate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.