1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-
TL;DR: 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)- (CAS 116759-60-5) is a chemical compound with molecular formula C17H26O4 and molecular weight 294.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarboxylate
Also Known As: 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-, dimethyl(1r,4as,8as)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarboxylate, Dimethyl 5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarboxylate, Dimethyl 5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarboxylate, (1R,4aS,8aS)-5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalene-1,2-dicarboxylic acid dimethyl ester
| Molecular Formula | C17H26O4 |
|---|---|
| Molecular Weight | 294.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.1831 |
| Heavy Atoms | 21 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 116759-60-5 |
|---|---|
| SMILES | C[C@]12CCCC([C@@H]1CC=C([C@@H]2C(=O)OC)C(=O)OC)(C)C |
| InChIKey | SJTWNHSOWFJZMH-AHIWAGSCSA-N |
Product Overview
1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)- (CAS 116759-60-5), with molecular formula C17H26O4 and molecular weight 294.18 g/mol. IUPAC: dimethyl (1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-
Property Insights of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-
The XLogP value of 4.0 indicates that 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)- has 0 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 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-?
The CAS number of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)- is 116759-60-5.
What is the molecular formula of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-?
The molecular formula of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)- is C17H26O4.
What is the molecular weight of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-?
The molecular weight of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)- is 294.18 g/mol.
Where can I buy 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-?
You can request a quote for 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.