2-Methylhepta-1,5-diene-3,4-diol
TL;DR: 2-Methylhepta-1,5-diene-3,4-diol (CAS 22726-05-2) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylhepta-1,5-diene-3,4-diol
Also Known As: 1,5-Heptadiene-3,4-diol, 2-methyl
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 22726-05-2 |
|---|---|
| SMILES | CC=CC(C(C(=C)C)O)O |
| InChIKey | ILADTYCAGOFDDE-UHFFFAOYSA-N |
Product Overview
2-Methylhepta-1,5-diene-3,4-diol (CAS 22726-05-2), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 2-methylhepta-1,5-diene-3,4-diol.
Chemical Property Profile of 2-Methylhepta-1,5-diene-3,4-diol
Property Insights of 2-Methylhepta-1,5-diene-3,4-diol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylhepta-1,5-diene-3,4-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Methylhepta-1,5-diene-3,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylhepta-1,5-diene-3,4-diol has 2 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 2-Methylhepta-1,5-diene-3,4-diol?
The CAS number of 2-Methylhepta-1,5-diene-3,4-diol is 22726-05-2.
What is the molecular formula of 2-Methylhepta-1,5-diene-3,4-diol?
The molecular formula of 2-Methylhepta-1,5-diene-3,4-diol is C8H14O2.
What is the molecular weight of 2-Methylhepta-1,5-diene-3,4-diol?
The molecular weight of 2-Methylhepta-1,5-diene-3,4-diol is 142.10 g/mol.
Where can I buy 2-Methylhepta-1,5-diene-3,4-diol?
You can request a quote for 2-Methylhepta-1,5-diene-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylhepta-1,5-diene-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylhepta-1,5-diene-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.