4-Thujanol
TL;DR: 4-Thujanol (CAS 3484-42-2) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5S)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
Also Known As: 4-Thujanol, Sabinenehydrate, Sabinene hydrate, trans-4-thujanol, trans-Sabinenhydrat
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.1935 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 183.3118 |
Chemical Identifiers
| CAS Number | 3484-42-2 |
|---|---|
| SMILES | CC(C)[C@@]12CC[C@@]([C@@H]1C2)(C)O |
Product Overview
4-Thujanol (CAS 3484-42-2), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: (1R,2R,5S)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol.
Chemical Property Profile of 4-Thujanol
Property Insights of 4-Thujanol
The XLogP value of 2.1935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thujanol. With a topological polar surface area (TPSA) of 20.23 Ų, 4-Thujanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Thujanol 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 4-Thujanol?
The CAS number of 4-Thujanol is 3484-42-2.
What is the molecular formula of 4-Thujanol?
The molecular formula of 4-Thujanol is C10H18O.
What is the molecular weight of 4-Thujanol?
The molecular weight of 4-Thujanol is 154.14 g/mol.
Where can I buy 4-Thujanol?
You can request a quote for 4-Thujanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thujanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Thujanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.