1,3-环己二烯
TL;DR: 1,3-环己二烯 (CAS 592-57-4) is a chemical compound with molecular formula C6H8 and molecular weight 80.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-环己二烯
cyclohexa-1,3-diene
Also Known As: 1,3-CYCLOHEXADIENE, Cyclohexa-1,3-diene, CYCLOHEXADIENE, 1,2-dihydrobenzene, Cyclohexadiene-1,3
| Molecular Formula | C6H8 |
|---|---|
| Molecular Weight | 80.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 80.0626 |
| Heavy Atoms | 6 |
| Complexity | 66.0 |
| Melting Point | -89 °C |
| Boiling Point | 81 °C |
| Density | Relative density (water = 1): 0.84 |
| Solubility | Solubility in water: none |
| Flash Point | 26 °C c.c. |
| Vapor Pressure | 97.3 [mmHg] |
Chemical Identifiers
| CAS Number | 592-57-4 |
|---|---|
| SMILES | C1CC=CC=C1 |
| InChIKey | MGNZXYYWBUKAII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-环己二烯 (CAS 592-57-4), with molecular formula C6H8 and molecular weight 80.06 g/mol. IUPAC: cyclohexa-1,3-diene.
Chemical Property Profile of 1,3-环己二烯
Property Insights of 1,3-环己二烯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-环己二烯. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-环己二烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-环己二烯 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 1,3-环己二烯?
The CAS number of 1,3-环己二烯 is 592-57-4.
What is the molecular formula of 1,3-环己二烯?
The molecular formula of 1,3-环己二烯 is C6H8.
What is the molecular weight of 1,3-环己二烯?
The molecular weight of 1,3-环己二烯 is 80.06 g/mol.
Where can I buy 1,3-环己二烯?
You can request a quote for 1,3-环己二烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-环己二烯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-环己二烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.