trans-Sesquisabinene hydrate
TL;DR: trans-Sesquisabinene hydrate (CAS 145512-84-1) is a chemical compound with molecular formula C15H26O and molecular weight 222.19836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5S)-2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol
Also Known As: Sesquisabinene hydrate, trans-Sesquisabinene hydrate, cis-Sesquisabinene hydrate, (E)-Sesquisabinene hydrate, (2S,5S)-2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo(3.1.0)hexan-2-ol
Technical Specifications
| Molecular Formula | C15H26O |
| Molecular Weight | 222.19836 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.19836 Da |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
| SMILES | CC(CCC=C(C)C)[C@@]12CC[C@](C1C2)(C)O |
| InChIKey | IRDFGGRWKUKANK-WUCCLRPBSA-N |
Chemical Property Profile of trans-Sesquisabinene hydrate
Property Insights of trans-Sesquisabinene hydrate
The XLogP value of 4.1 indicates that trans-Sesquisabinene hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, trans-Sesquisabinene hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Sesquisabinene hydrate 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
What is the CAS number of trans-Sesquisabinene hydrate?
The CAS number of trans-Sesquisabinene hydrate is 145512-84-1.
What is the molecular formula of trans-Sesquisabinene hydrate?
The molecular formula of trans-Sesquisabinene hydrate is C15H26O.
What is the molecular weight of trans-Sesquisabinene hydrate?
The molecular weight of trans-Sesquisabinene hydrate is 222.19836 g/mol.
Where can I buy trans-Sesquisabinene hydrate?
You can request a quote for trans-Sesquisabinene hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-Sesquisabinene hydrate?
Yes, CoreyChem provides custom synthesis services for trans-Sesquisabinene hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.