1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol
TL;DR: 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol (CAS 59545-99-2) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2,3-diol
Also Known As: Rishitin, 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol, 1-METHYL-7-(PROP-1-EN-2-YL)-1,2,3,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2,3-DIOL, 1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2,3-diol, 2,3-Naphthalenediol, 1,2,3,5,6,7,8,8a-octahydro-1-methyl-7-(1-methylethenyl)-
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 2.2767 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 318.69702 |
Chemical Identifiers
| CAS Number | 59545-99-2 |
|---|---|
| SMILES | CC1C2CC(CCC2=CC(C1O)O)C(=C)C |
Product Overview
1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol (CAS 59545-99-2), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2,3-diol.
Chemical Property Profile of 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol
Property Insights of 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol
The XLogP value of 2.2767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol. With a topological polar surface area (TPSA) of 40.46 Ų, 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol has 2 hydrogen bond donor(s) and 2 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 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol?
The CAS number of 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol is 59545-99-2.
What is the molecular formula of 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol?
The molecular formula of 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol is C14H22O2.
What is the molecular weight of 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol?
The molecular weight of 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol is 222.16 g/mol.
Where can I buy 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol?
You can request a quote for 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.