trans-9-Decalol
TL;DR: trans-9-Decalol (CAS 55693-34-0) is a chemical compound with molecular formula C1CCC2(CCCCC2C1)O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
Also Known As: trans-9-Decalol, 9-hydroxydecalin, cis-9-Decalinol, cis-decalol-9, decalin-4a-ol
| Molecular Formula | C1CCC2(CCCCC2C1)O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 55693-34-0 |
|---|---|
| SMILES | C1CCC2(CCCCC2C1)O |
| InChIKey | YMWMXZXXVIICRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-9-Decalol (CAS 55693-34-0), with molecular formula C1CCC2(CCCCC2C1)O and molecular weight 154.14 g/mol. IUPAC: 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol.
Chemical Property Profile of trans-9-Decalol
Property Insights of trans-9-Decalol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-9-Decalol. With a topological polar surface area (TPSA) of 20.2 Ų, trans-9-Decalol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-9-Decalol has 1 hydrogen bond donor(s) and 1 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 trans-9-Decalol?
The CAS number of trans-9-Decalol is 55693-34-0.
What is the molecular formula of trans-9-Decalol?
The molecular formula of trans-9-Decalol is C1CCC2(CCCCC2C1)O.
What is the molecular weight of trans-9-Decalol?
The molecular weight of trans-9-Decalol is 154.14 g/mol.
Where can I buy trans-9-Decalol?
You can request a quote for trans-9-Decalol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-9-Decalol?
Yes, KEHONG BIO provides custom synthesis services for trans-9-Decalol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.