(+-)-Car-3-Ene-2,5-Dione
TL;DR: (+-)-Car-3-Ene-2,5-Dione (CAS 67670-71-7) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione
Also Known As: Car-3-ene-2,5-dione, Ref. SCIFINDER, 3-Carene-2,5-dione, Car-3-en-2,5-dion, (+-)-Car-3-ene-2,5-dione
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 67670-71-7 |
|---|---|
| SMILES | CC1=CC(=O)C2C(C1=O)C2(C)C |
| InChIKey | BBRJZZUFDYMNIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+-)-Car-3-Ene-2,5-Dione (CAS 67670-71-7), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione.
Chemical Property Profile of (+-)-Car-3-Ene-2,5-Dione
Property Insights of (+-)-Car-3-Ene-2,5-Dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+-)-Car-3-Ene-2,5-Dione. With a topological polar surface area (TPSA) of 34.1 Ų, (+-)-Car-3-Ene-2,5-Dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-Car-3-Ene-2,5-Dione 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 (+-)-Car-3-Ene-2,5-Dione?
The CAS number of (+-)-Car-3-Ene-2,5-Dione is 67670-71-7.
What is the molecular formula of (+-)-Car-3-Ene-2,5-Dione?
The molecular formula of (+-)-Car-3-Ene-2,5-Dione is C10H12O2.
What is the molecular weight of (+-)-Car-3-Ene-2,5-Dione?
The molecular weight of (+-)-Car-3-Ene-2,5-Dione is 164.08 g/mol.
Where can I buy (+-)-Car-3-Ene-2,5-Dione?
You can request a quote for (+-)-Car-3-Ene-2,5-Dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-Car-3-Ene-2,5-Dione?
Yes, KEHONG BIO provides custom synthesis services for (+-)-Car-3-Ene-2,5-Dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.