1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))-
TL;DR: 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))- (CAS 111319-82-5) is a chemical compound with molecular formula C16H24O3 and molecular weight 264.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1S,4aS,8aS)-2-formyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
Also Known As: 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))-, Methyl (1S,4aS,8aS)-2-formyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate, Methyl 2-formyl-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate, methyl (1S,4aS,8aS)-2-formyl-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
Technical Specifications
| Molecular Formula | C16H24O3 |
| Molecular Weight | 264.17255 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.17255 Da |
| Heavy Atoms | 19 |
| Complexity | 422.0 |
| SMILES | C[C@]12CCCC([C@@H]1CC=C([C@H]2C(=O)OC)C=O)(C)C |
| InChIKey | LNDBCDDXUXBOMJ-XEZPLFJOSA-N |
Chemical Property Profile of 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))-
Property Insights of 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))-
The XLogP value of 3.6 indicates that 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))- has 0 hydrogen bond donor(s) and 3 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, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))-?
The CAS number of 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))- is 111319-82-5.
What is the molecular formula of 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))-?
The molecular formula of 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))- is C16H24O3.
What is the molecular weight of 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))-?
The molecular weight of 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))- is 264.17255 g/mol.
Where can I buy 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))-?
You can request a quote for 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))-?
Yes, CoreyChem provides custom synthesis services for 1-Naphthalenecarboxylic acid, 2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, methyl ester,(1S-(1a,4aa,8ab))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.