8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol
TL;DR: 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol (CAS 100052-83-3) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol
Also Known As: 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol, 1,6-Naphthalenediol, 1,2,3,4,6,7,8,8a-octahydro-8a-methyl-, 8a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-diol, 8a-methyl-1,2,3,4,6,7,8,8a-octahydro-1,6-naphthalenediol
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 1.6186 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 234.24478 |
Chemical Identifiers
| CAS Number | 100052-83-3 |
|---|---|
| SMILES | CC12CCC(C=C1CCCC2O)O |
Product Overview
8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol (CAS 100052-83-3), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol.
Chemical Property Profile of 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol
Property Insights of 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol
The XLogP value of 1.6186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol. With a topological polar surface area (TPSA) of 40.46 Ų, 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol 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 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol?
The CAS number of 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol is 100052-83-3.
What is the molecular formula of 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol?
The molecular formula of 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol is C11H18O2.
What is the molecular weight of 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol?
The molecular weight of 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol is 182.13 g/mol.
Where can I buy 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol?
You can request a quote for 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.