醋酸桧酯
TL;DR: 醋酸桧酯 (CAS 3536-54-7) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
醋酸桧酯
(4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate
Also Known As: Sabinyl acetate, SABINYLACETATE, 4(10)-Thujen-3-ol, acetate, 4(10)-Thujen-3-ol acetate, thuj-4(10)-en-3-ol acetate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 3536-54-7 |
|---|---|
| SMILES | CC(C)C12CC1C(=C)C(C2)OC(=O)C |
| InChIKey | PBWRFXQNNGSAQG-UHFFFAOYSA-N |
Product Overview
醋酸桧酯 (CAS 3536-54-7), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate.
Chemical Property Profile of 醋酸桧酯
Property Insights of 醋酸桧酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 醋酸桧酯. With a topological polar surface area (TPSA) of 26.3 Ų, 醋酸桧酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 醋酸桧酯 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 醋酸桧酯?
The CAS number of 醋酸桧酯 is 3536-54-7.
What is the molecular formula of 醋酸桧酯?
The molecular formula of 醋酸桧酯 is C12H18O2.
What is the molecular weight of 醋酸桧酯?
The molecular weight of 醋酸桧酯 is 194.13 g/mol.
Where can I buy 醋酸桧酯?
You can request a quote for 醋酸桧酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 醋酸桧酯?
Yes, KEHONG BIO provides custom synthesis services for 醋酸桧酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.