Sabinene hydrate acetate
TL;DR: Sabinene hydrate acetate (CAS 87553-42-2) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl) acetate
Also Known As: Sabinene hydrate acetate, 4-thujyl acetate, (2-methyl-5-propan-2-yl-2-bicyclo(3.1.0)hexanyl) acetate, (2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl) acetate, 2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-yl acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 87553-42-2 |
|---|---|
| SMILES | CC(C)C12CCC(C1C2)(C)OC(=O)C |
| InChIKey | MYCFGFMJUUNKBN-UHFFFAOYSA-N |
Product Overview
Sabinene hydrate acetate (CAS 87553-42-2), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: (2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl) acetate.
Chemical Property Profile of Sabinene hydrate acetate
Property Insights of Sabinene hydrate acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sabinene hydrate acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Sabinene hydrate acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sabinene hydrate acetate has 0 hydrogen bond donor(s) and 2 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 Sabinene hydrate acetate?
The CAS number of Sabinene hydrate acetate is 87553-42-2.
What is the molecular formula of Sabinene hydrate acetate?
The molecular formula of Sabinene hydrate acetate is C12H20O2.
What is the molecular weight of Sabinene hydrate acetate?
The molecular weight of Sabinene hydrate acetate is 196.15 g/mol.
Where can I buy Sabinene hydrate acetate?
You can request a quote for Sabinene hydrate acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sabinene hydrate acetate?
Yes, KEHONG BIO provides custom synthesis services for Sabinene hydrate acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.