![4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯 structure](/static/products/1510/15103-33-0.webp)
4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯
TL;DR: 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯 (CAS 15103-33-0) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯
(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)methyl acetate
Also Known As: 2-Carene-4-methanol, acetate, 2-Carene-4-methanol acetate, acetate of 4-hydroxymethyl-2-carene, (4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)methyl acetate, 4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ylmethyl acetate
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 15103-33-0 |
|---|---|
| SMILES | CC1=CC2C(C2(C)C)CC1COC(=O)C |
| InChIKey | JKPMQDRFEWGKLS-UHFFFAOYSA-N |
Product Overview
4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯 (CAS 15103-33-0), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: (4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)methyl acetate.
Chemical Property Profile of 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯
Property Insights of 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯. With a topological polar surface area (TPSA) of 26.3 Ų, 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯 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 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯?
The CAS number of 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯 is 15103-33-0.
What is the molecular formula of 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯?
The molecular formula of 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯 is C13H20O2.
What is the molecular weight of 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯?
The molecular weight of 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯 is 208.15 g/mol.
Where can I buy 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯?
You can request a quote for 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4,7,7-三甲基双环[4.1.0]庚-3-烯-3-甲醇 3-乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.