4-Methylhepta-1,5-diene
TL;DR: 4-Methylhepta-1,5-diene (CAS 998-94-7) is a chemical compound with molecular formula CC=CC(C)CC=C and molecular weight 110.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylhepta-1,5-diene
Also Known As: 4-Methyl-1,5-Heptadiene, 4-methylhepta-1,5-diene, DPAT?Diphenylammonium Trifluoromethanesulfonate
| Molecular Formula | CC=CC(C)CC=C |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 998-94-7 |
|---|---|
| SMILES | CC=CC(C)CC=C |
| InChIKey | ITKKJSFRRSLPHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylhepta-1,5-diene (CAS 998-94-7), with molecular formula CC=CC(C)CC=C and molecular weight 110.11 g/mol. IUPAC: 4-methylhepta-1,5-diene.
Chemical Property Profile of 4-Methylhepta-1,5-diene
Property Insights of 4-Methylhepta-1,5-diene
The XLogP value of 3.0 indicates that 4-Methylhepta-1,5-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Methylhepta-1,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylhepta-1,5-diene 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 4-Methylhepta-1,5-diene?
The CAS number of 4-Methylhepta-1,5-diene is 998-94-7.
What is the molecular formula of 4-Methylhepta-1,5-diene?
The molecular formula of 4-Methylhepta-1,5-diene is CC=CC(C)CC=C.
What is the molecular weight of 4-Methylhepta-1,5-diene?
The molecular weight of 4-Methylhepta-1,5-diene is 110.11 g/mol.
Where can I buy 4-Methylhepta-1,5-diene?
You can request a quote for 4-Methylhepta-1,5-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylhepta-1,5-diene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylhepta-1,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.