Trans-alpha-Bergamotene
TL;DR: Trans-alpha-Bergamotene (CAS 17829-53-7) is a chemical compound with molecular formula C15H24 and molecular weight 204.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
Also Known As: trans-alpha-Bergamotene, alpha-Bergamotene, (-)-exo-alpha-bergamotene, a-trans-bergamotene, (E)-alpha-bergamotene
| Molecular Formula | C15H24 |
|---|---|
| Molecular Weight | 204.19 g/mol |
| LogP | 4.7252 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.1878 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 17829-53-7 |
|---|---|
| SMILES | CC1=CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C |
Product Overview
Trans-alpha-Bergamotene (CAS 17829-53-7), with molecular formula C15H24 and molecular weight 204.19 g/mol. IUPAC: (1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene.
Chemical Property Profile of Trans-alpha-Bergamotene
Property Insights of Trans-alpha-Bergamotene
The XLogP value of 4.7252 indicates that Trans-alpha-Bergamotene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Trans-alpha-Bergamotene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trans-alpha-Bergamotene 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 Trans-alpha-Bergamotene?
The CAS number of Trans-alpha-Bergamotene is 17829-53-7.
What is the molecular formula of Trans-alpha-Bergamotene?
The molecular formula of Trans-alpha-Bergamotene is C15H24.
What is the molecular weight of Trans-alpha-Bergamotene?
The molecular weight of Trans-alpha-Bergamotene is 204.19 g/mol.
Where can I buy Trans-alpha-Bergamotene?
You can request a quote for Trans-alpha-Bergamotene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trans-alpha-Bergamotene?
Yes, KEHONG BIO provides custom synthesis services for Trans-alpha-Bergamotene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.