Methyl 2,5-heptadienoate
TL;DR: Methyl 2,5-heptadienoate (CAS 41792-07-8) 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.
methyl hepta-2,5-dienoate
Also Known As: methyl 2,5-heptadienoate, methyl hepta-2,5-dienoate, Methyl (2E,5E)-hepta-2,5-dienoate, 2,5-Heptadienoic acid, methyl ester, (E,E)-
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 41792-07-8 |
|---|---|
| SMILES | CC=CCC=CC(=O)OC |
| InChIKey | AEKZTVSCWKESCZ-UHFFFAOYSA-N |
Product Overview
Methyl 2,5-heptadienoate (CAS 41792-07-8), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: methyl hepta-2,5-dienoate.
Chemical Property Profile of Methyl 2,5-heptadienoate
Property Insights of Methyl 2,5-heptadienoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,5-heptadienoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,5-heptadienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,5-heptadienoate 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 Methyl 2,5-heptadienoate?
The CAS number of Methyl 2,5-heptadienoate is 41792-07-8.
What is the molecular formula of Methyl 2,5-heptadienoate?
The molecular formula of Methyl 2,5-heptadienoate is C8H12O2.
What is the molecular weight of Methyl 2,5-heptadienoate?
The molecular weight of Methyl 2,5-heptadienoate is 140.08 g/mol.
Where can I buy Methyl 2,5-heptadienoate?
You can request a quote for Methyl 2,5-heptadienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,5-heptadienoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,5-heptadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.