1,2,3-Trimethylcyclopentadiene
TL;DR: 1,2,3-Trimethylcyclopentadiene (CAS 72347-62-7) is a chemical compound with molecular formula C8H12 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trimethylcyclopenta-1,3-diene
Also Known As: 1,2,3-Trimethylcyclopentadiene, trimethylcyclopentadiene, 1,3-Cyclopentadiene, trimethyl-, 1,2,3-trimethylcyclopenta-1,3-diene, 1,2,3-Trimethyl-1,3-cyclopentadiene
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 72347-62-7 |
|---|---|
| SMILES | CC1=C(C(=CC1)C)C |
| InChIKey | WFZFDWAAGYEXOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Trimethylcyclopentadiene (CAS 72347-62-7), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 1,2,3-trimethylcyclopenta-1,3-diene.
Chemical Property Profile of 1,2,3-Trimethylcyclopentadiene
Property Insights of 1,2,3-Trimethylcyclopentadiene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Trimethylcyclopentadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3-Trimethylcyclopentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trimethylcyclopentadiene 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 1,2,3-Trimethylcyclopentadiene?
The CAS number of 1,2,3-Trimethylcyclopentadiene is 72347-62-7.
What is the molecular formula of 1,2,3-Trimethylcyclopentadiene?
The molecular formula of 1,2,3-Trimethylcyclopentadiene is C8H12.
What is the molecular weight of 1,2,3-Trimethylcyclopentadiene?
The molecular weight of 1,2,3-Trimethylcyclopentadiene is 108.09 g/mol.
Where can I buy 1,2,3-Trimethylcyclopentadiene?
You can request a quote for 1,2,3-Trimethylcyclopentadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trimethylcyclopentadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trimethylcyclopentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.