13-labdene-8alpha,15-diol
TL;DR: 13-labdene-8alpha,15-diol (CAS 100349-53-9) is a chemical compound with molecular formula C20H36O2 and molecular weight 308.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Also Known As: 13-labdene-8alpha,15-diol, 1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol, rel-(1R,2R,4aS,8aS)-1-((E)-5-hydroxy-3-methylpent-3-en-1-yl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol
| Molecular Formula | C20H36O2 |
|---|---|
| Molecular Weight | 308.27 g/mol |
| LogP | 4.6988 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.27155 |
| Heavy Atoms | 22 |
| Complexity | 421.4232 |
Chemical Identifiers
| CAS Number | 100349-53-9 |
|---|---|
| SMILES | C/C(=C\CO)/CCC1C2(CCCC(C2CCC1(C)O)(C)C)C |
Product Overview
13-labdene-8alpha,15-diol (CAS 100349-53-9), with molecular formula C20H36O2 and molecular weight 308.27 g/mol. IUPAC: 1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.
Chemical Property Profile of 13-labdene-8alpha,15-diol
Property Insights of 13-labdene-8alpha,15-diol
The XLogP value of 4.6988 indicates that 13-labdene-8alpha,15-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 13-labdene-8alpha,15-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-labdene-8alpha,15-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 13-labdene-8alpha,15-diol?
The CAS number of 13-labdene-8alpha,15-diol is 100349-53-9.
What is the molecular formula of 13-labdene-8alpha,15-diol?
The molecular formula of 13-labdene-8alpha,15-diol is C20H36O2.
What is the molecular weight of 13-labdene-8alpha,15-diol?
The molecular weight of 13-labdene-8alpha,15-diol is 308.27 g/mol.
Where can I buy 13-labdene-8alpha,15-diol?
You can request a quote for 13-labdene-8alpha,15-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-labdene-8alpha,15-diol?
Yes, KEHONG BIO provides custom synthesis services for 13-labdene-8alpha,15-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.