1,3-Pentadien-2-ol, 4-methyl-, acetate
TL;DR: 1,3-Pentadien-2-ol, 4-methyl-, acetate (CAS 34645-17-5) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpenta-1,3-dien-2-yl acetate
Also Known As: 4-methylpenta-1,3-dien-2-yl acetate, 1,3-Pentadien-2-ol, 4-methyl-, acetate, 2-Acetoxy-4-methyl-1,3-pentadien, 2-Acetoxy-4-methyl-1,3-pentadiene, 4-Methyl-1,3-pentadien-2-ol acetate
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 34645-17-5 |
|---|---|
| SMILES | CC(=CC(=C)OC(=O)C)C |
| InChIKey | IDKVMQZOEUQHJR-UHFFFAOYSA-N |
Product Overview
1,3-Pentadien-2-ol, 4-methyl-, acetate (CAS 34645-17-5), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 4-methylpenta-1,3-dien-2-yl acetate.
Chemical Property Profile of 1,3-Pentadien-2-ol, 4-methyl-, acetate
Property Insights of 1,3-Pentadien-2-ol, 4-methyl-, acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Pentadien-2-ol, 4-methyl-, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1,3-Pentadien-2-ol, 4-methyl-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Pentadien-2-ol, 4-methyl-, acetate has 0 hydrogen bond donor(s) and 2 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-Pentadien-2-ol, 4-methyl-, acetate?
The CAS number of 1,3-Pentadien-2-ol, 4-methyl-, acetate is 34645-17-5.
What is the molecular formula of 1,3-Pentadien-2-ol, 4-methyl-, acetate?
The molecular formula of 1,3-Pentadien-2-ol, 4-methyl-, acetate is C8H12O2.
What is the molecular weight of 1,3-Pentadien-2-ol, 4-methyl-, acetate?
The molecular weight of 1,3-Pentadien-2-ol, 4-methyl-, acetate is 140.08 g/mol.
Where can I buy 1,3-Pentadien-2-ol, 4-methyl-, acetate?
You can request a quote for 1,3-Pentadien-2-ol, 4-methyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Pentadien-2-ol, 4-methyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Pentadien-2-ol, 4-methyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.