(-)-alpha-Thujene
TL;DR: (-)-alpha-Thujene (CAS 3917-48-4) is a chemical compound with molecular formula C10H16 and molecular weight 136.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
Also Known As: (-)-alpha-Thujene, trans-Thujene, alpha-Thujene, (-)-, THUJENE, (-)-
| Molecular Formula | C10H16 |
|---|---|
| Molecular Weight | 136.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.1252 |
| Heavy Atoms | 10 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 3917-48-4 |
|---|---|
| SMILES | CC1=CC[C@]2([C@@H]1C2)C(C)C |
| InChIKey | KQAZVFVOEIRWHN-NXEZZACHSA-N |
Product Overview
(-)-alpha-Thujene (CAS 3917-48-4), with molecular formula C10H16 and molecular weight 136.13 g/mol. IUPAC: (1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene.
Chemical Property Profile of (-)-alpha-Thujene
Property Insights of (-)-alpha-Thujene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-alpha-Thujene. With a topological polar surface area (TPSA) of 0.0 Ų, (-)-alpha-Thujene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-alpha-Thujene has 0 hydrogen bond donor(s) and 0 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 (-)-alpha-Thujene?
The CAS number of (-)-alpha-Thujene is 3917-48-4.
What is the molecular formula of (-)-alpha-Thujene?
The molecular formula of (-)-alpha-Thujene is C10H16.
What is the molecular weight of (-)-alpha-Thujene?
The molecular weight of (-)-alpha-Thujene is 136.13 g/mol.
Where can I buy (-)-alpha-Thujene?
You can request a quote for (-)-alpha-Thujene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-alpha-Thujene?
Yes, KEHONG BIO provides custom synthesis services for (-)-alpha-Thujene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.