3-蒈烯
TL;DR: 3-蒈烯 (CAS 13466-78-9) is a chemical compound with molecular formula C10H16 and molecular weight 136.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-蒈烯
3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
Also Known As: 3-Carene, Carene, Delta-3-Carene, Monoterpenes, Car-3-ene
| Molecular Formula | C10H16 |
|---|---|
| Molecular Weight | 136.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.1252 |
| Heavy Atoms | 10 |
| Complexity | 186.0 |
| Melting Point | < 25 °C |
| Boiling Point | 170.0 °C at 760 mmHg |
| Density | 0.86 at 20.0 °C - Less dense than water; will float |
| Solubility | Insoluble in water; soluble in benzene, pet ether |
| Vapor Pressure | 3.72 [mmHg] |
| Refractive Index | 1.468-1.478 |
Chemical Identifiers
| CAS Number | 13466-78-9 |
|---|---|
| SMILES | CC1=CCC2C(C1)C2(C)C |
| InChIKey | BQOFWKZOCNGFEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-蒈烯 (CAS 13466-78-9), with molecular formula C10H16 and molecular weight 136.13 g/mol. IUPAC: 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene.
Chemical Property Profile of 3-蒈烯
Property Insights of 3-蒈烯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-蒈烯. With a topological polar surface area (TPSA) of 0.0 Ų, 3-蒈烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-蒈烯 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 3-蒈烯?
The CAS number of 3-蒈烯 is 13466-78-9.
What is the molecular formula of 3-蒈烯?
The molecular formula of 3-蒈烯 is C10H16.
What is the molecular weight of 3-蒈烯?
The molecular weight of 3-蒈烯 is 136.13 g/mol.
Where can I buy 3-蒈烯?
You can request a quote for 3-蒈烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-蒈烯?
Yes, KEHONG BIO provides custom synthesis services for 3-蒈烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.