1-甲基环戊二烯
TL;DR: 1-甲基环戊二烯 (CAS 96-39-9) 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-甲基环戊二烯
1-methylcyclopenta-1,3-diene
Also Known As: Methylcyclopentadiene, 1-Methylcyclopentadiene, 1-methylcyclopenta-1,3-diene, 1,3-Cyclopentadiene, 1-methyl-, 1-Methyl-1,3-cyclopentadiene
| Molecular Formula | C6H8 |
|---|---|
| Molecular Weight | 80.06 g/mol |
| LogP | 1.8 |
| 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 | 96.0 |
Chemical Identifiers
| CAS Number | 96-39-9 |
|---|---|
| SMILES | CC1=CC=CC1 |
| InChIKey | NFWSQSCIDYBUOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲基环戊二烯 (CAS 96-39-9), with molecular formula C6H8 and molecular weight 80.06 g/mol. IUPAC: 1-methylcyclopenta-1,3-diene.
Chemical Property Profile of 1-甲基环戊二烯
Property Insights of 1-甲基环戊二烯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲基环戊二烯. With a topological polar surface area (TPSA) of 0.0 Ų, 1-甲基环戊二烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基环戊二烯 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-甲基环戊二烯?
The CAS number of 1-甲基环戊二烯 is 96-39-9.
What is the molecular formula of 1-甲基环戊二烯?
The molecular formula of 1-甲基环戊二烯 is C6H8.
What is the molecular weight of 1-甲基环戊二烯?
The molecular weight of 1-甲基环戊二烯 is 80.06 g/mol.
Where can I buy 1-甲基环戊二烯?
You can request a quote for 1-甲基环戊二烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基环戊二烯?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基环戊二烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.