![2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester structure](/static/products/5510/55101-92-3.webp)
2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester
TL;DR: 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester (CAS 55101-92-3) is a chemical compound with molecular formula C21H34O2 and molecular weight 318.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,8,9,11b-tetramethyl-2,3,4a,5,6,8,9,10,11,11a-decahydro-1H-cyclohepta[a]naphthalene-4-carboxylate
Also Known As: 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester, 1H-Cyclohepta[a]naphthalene-4-carboxylic acid, 2,3,4,4a,5,6,8,9,10,11,11a,11b-dodecahydro-4,8,9,11b-tetramethyl-, methyl ester, methyl 4,8,9,11b-tetramethyl-1H,2H,3H,4H,4aH,5H,6H,8H,9H,10H,11H,11aH,11bH-cyclohepta[a]naphthalene-4-carboxylate, Methyl 4,8,9,11b-tetramethyl-2,3,4,4a,5,6,8,9,10,11,11a,11b-dodecahydro-1H-cyclohepta[a]naphthalene-4-carboxylate, Methyl 4,8,9,11b-tetramethyl-2,3,4,4a,5,6,8,9,10,11,11a,11b-dodecahydro-1H-cyclohepta[a]naphthalene-4-carboxylate #
| Molecular Formula | C21H34O2 |
|---|---|
| Molecular Weight | 318.26 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.2559 |
| Heavy Atoms | 23 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 55101-92-3 |
|---|---|
| SMILES | CC1CCC2C(=CC1C)CCC3C2(CCCC3(C)C(=O)OC)C |
| InChIKey | WCKZFRRCRVDMLO-UHFFFAOYSA-N |
Product Overview
2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester (CAS 55101-92-3), with molecular formula C21H34O2 and molecular weight 318.26 g/mol. IUPAC: methyl 4,8,9,11b-tetramethyl-2,3,4a,5,6,8,9,10,11,11a-decahydro-1H-cyclohepta[a]naphthalene-4-carboxylate.
Chemical Property Profile of 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester
Property Insights of 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester
The XLogP value of 5.8 indicates that 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester?
The CAS number of 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester is 55101-92-3.
What is the molecular formula of 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester?
The molecular formula of 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester is C21H34O2.
What is the molecular weight of 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester?
The molecular weight of 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester is 318.26 g/mol.
Where can I buy 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester?
You can request a quote for 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,4a,5,6,8,9,10,11,11a,11b-Dodecahydro-4,8,9,11b-tetramethyl-1H-cyclohepta[a]naphthalene-4-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.