3-Methylpenta-1,3-diene
TL;DR: 3-Methylpenta-1,3-diene (CAS 4549-74-0) is a chemical compound with molecular formula C6H10 and molecular weight 82.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpenta-1,3-diene
Also Known As: 3-methylpenta-1,3-diene, 3-METHYL-1,3-PENTADIENE, 1,3-Pentadiene, 3-methyl-, trans-3-Methyl-1,3-Pentadiene, 1,3-Pentadiene, 3-methyl-, (Z)-
| Molecular Formula | C6H10 |
|---|---|
| Molecular Weight | 82.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 82.07825 |
| Heavy Atoms | 6 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 4549-74-0 |
|---|---|
| SMILES | CC=C(C)C=C |
| InChIKey | BOGRNZQRTNVZCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylpenta-1,3-diene (CAS 4549-74-0), with molecular formula C6H10 and molecular weight 82.08 g/mol. IUPAC: 3-methylpenta-1,3-diene.
Chemical Property Profile of 3-Methylpenta-1,3-diene
Property Insights of 3-Methylpenta-1,3-diene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylpenta-1,3-diene. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Methylpenta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylpenta-1,3-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 3-Methylpenta-1,3-diene?
The CAS number of 3-Methylpenta-1,3-diene is 4549-74-0.
What is the molecular formula of 3-Methylpenta-1,3-diene?
The molecular formula of 3-Methylpenta-1,3-diene is C6H10.
What is the molecular weight of 3-Methylpenta-1,3-diene?
The molecular weight of 3-Methylpenta-1,3-diene is 82.08 g/mol.
Where can I buy 3-Methylpenta-1,3-diene?
You can request a quote for 3-Methylpenta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylpenta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylpenta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.