3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
TL;DR: 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid (CAS 313517-63-4) is a chemical compound with molecular formula C18H29NO4 and molecular weight 323.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(dimethylamino)ethoxycarbonyl]-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carboxylic acid
Also Known As: 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid, 3-(2-dimethylaminoethyloxycarbonyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carboxylic acid, 3-{[2-(dimethylamino)ethoxy]carbonyl}-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
| Molecular Formula | C18H29NO4 |
|---|---|
| Molecular Weight | 323.21 g/mol |
| LogP | 2.7087 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.20966 |
| Heavy Atoms | 23 |
| Complexity | 507.15097 |
Chemical Identifiers
| CAS Number | 313517-63-4 |
|---|---|
| SMILES | CC1(CCCC2=C1CC(C(C2)C(=O)OCCN(C)C)C(=O)O)C |
Product Overview
3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid (CAS 313517-63-4), with molecular formula C18H29NO4 and molecular weight 323.21 g/mol. IUPAC: 3-[2-(dimethylamino)ethoxycarbonyl]-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carboxylic acid.
Chemical Property Profile of 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
Property Insights of 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
The XLogP value of 2.7087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The CAS number of 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid is 313517-63-4.
What is the molecular formula of 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The molecular formula of 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid is C18H29NO4.
What is the molecular weight of 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The molecular weight of 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid is 323.21 g/mol.
Where can I buy 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
You can request a quote for 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-(dimethylamino)ethoxy)carbonyl)-8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.