1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)-
TL;DR: 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)- (CAS 136379-63-0) is a chemical compound with molecular formula C22H34O4S and molecular weight 394.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1aS,3aS,4S,7R,7aR,7bS)-7-hydroxy-1,3a,7-trimethyl-1a,2,3,4,5,6,7a,7b-octahydro-1H-cyclopropa[a]naphthalen-4-yl] 1,4-dimethylcyclohexa-2,4-diene-1-sulfonate
Also Known As: 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)-, (1aS,3aS,4S,7R,7aR,7bS)-7-Hydroxy-1,3a,7-trimethyldecahydro-1H-cyclopropa[a]naphthalen-4-yl 1,4-dimethylcyclohexa-2,4-diene-1-sulfonate, [(1aS,3aS,4S,7R,7aR,7bS)-7-hydroxy-1,3a,7-trimethyl-1a,2,3,4,5,6,7a,7b-octahydro-1H-cyclopropa[a]naphthalen-4-yl] 1,4-dimethylcyclohexa-2,4-diene-1-sulfonate, 7-Hydroxy-1,3a,7-trimethyldecahydro-1H-cyclopropa[a]naphthalen-4-yl 1,4-dimethylcyclohexa-2,4-diene-1-sulfonate
| Molecular Formula | C22H34O4S |
|---|---|
| Molecular Weight | 394.22 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.21777 |
| Heavy Atoms | 27 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 136379-63-0 |
|---|---|
| SMILES | CC1[C@H]2[C@H]1[C@@H]3[C@](CC2)([C@H](CC[C@@]3(C)O)OS(=O)(=O)C4(CC=C(C=C4)C)C)C |
| InChIKey | WOJLIQAMSIVQQZ-PQYCTTEASA-N |
Product Overview
1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)- (CAS 136379-63-0), with molecular formula C22H34O4S and molecular weight 394.22 g/mol. IUPAC: [(1aS,3aS,4S,7R,7aR,7bS)-7-hydroxy-1,3a,7-trimethyl-1a,2,3,4,5,6,7a,7b-octahydro-1H-cyclopropa[a]naphthalen-4-yl] 1,4-dimethylcyclohexa-2,4-diene-1-sulfonate.
Chemical Property Profile of 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)-
Property Insights of 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)-
The XLogP value of 4.1 indicates that 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)-. Following Lipinski's Rule of Five, 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)- has 1 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 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)-?
The CAS number of 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)- is 136379-63-0.
What is the molecular formula of 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)-?
The molecular formula of 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)- is C22H34O4S.
What is the molecular weight of 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)-?
The molecular weight of 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)- is 394.22 g/mol.
Where can I buy 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)-?
You can request a quote for 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Cyclopropa(a)naphthalene-4,7-diol, decahydro-1,1,3a,7-tetramethyl-, 4-(4-methylbenzenesulfonate), (1aalpha,3aalpha,4alpha,7alpha,7abeta,7balpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.