1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)-
TL;DR: 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)- (CAS 111319-81-4) is a chemical compound with molecular formula C17H26O5 and molecular weight 310.178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,4aR,8aR)-5,5,8a-trimethyl-1-methylperoxycarbonyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate
Also Known As: 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)-, Methyl (1R,4aR,8aR)-5,5,8a-trimethyl-1-[(methylperoxy)carbonyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylate, methyl (1R,4aR,8aR)-5,5,8a-trimethyl-1-methylperoxycarbonyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate
Technical Specifications
| Molecular Formula | C17H26O5 |
| Molecular Weight | 310.178 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.178 Da |
| Heavy Atoms | 22 |
| Complexity | 493.0 |
| SMILES | C[C@@]12CCCC([C@H]1CC=C([C@@H]2C(=O)OOC)C(=O)OC)(C)C |
| InChIKey | CYALEELVWDYVQI-PBFPGSCMSA-N |
Chemical Property Profile of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)-
Property Insights of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)-
The XLogP value of 4.1 indicates that 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)-. Following Lipinski's Rule of Five, 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)-?
The CAS number of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)- is 111319-81-4.
What is the molecular formula of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)-?
The molecular formula of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)- is C17H26O5.
What is the molecular weight of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)-?
The molecular weight of 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)- is 310.178 g/mol.
Where can I buy 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)-?
You can request a quote for 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)-?
Yes, CoreyChem provides custom synthesis services for 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, 1,2-dimethy lester, (1S,4aS,8aS)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.