1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)-
TL;DR: 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)- (CAS 111319-83-6) is a chemical compound with molecular formula C16H26O2 and molecular weight 250.19328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
Also Known As: 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)-, methyl (1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate, Methyl 2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate, Methyl 2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate, methyl (1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
Technical Specifications
| Molecular Formula | C16H26O2 |
| Molecular Weight | 250.19328 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.19328 Da |
| Heavy Atoms | 18 |
| Complexity | 381.0 |
| SMILES | CC1=CC[C@@H]2[C@@]([C@H]1C(=O)OC)(CCCC2(C)C)C |
| InChIKey | RLQBUOKUZYRPSN-ZENOOKHLSA-N |
Chemical Property Profile of 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)-
Property Insights of 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)-
The XLogP value of 4.4 indicates that 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)- has 0 hydrogen bond donor(s) and 2 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-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)-?
The CAS number of 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)- is 111319-83-6.
What is the molecular formula of 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)-?
The molecular formula of 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)- is C16H26O2.
What is the molecular weight of 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)-?
The molecular weight of 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)- is 250.19328 g/mol.
Where can I buy 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)-?
You can request a quote for 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)-?
Yes, CoreyChem provides custom synthesis services for 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, methyl ester,(1S,4aS,8aS)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.