Dimethyl 3-methylhexa-2,4-dienedioate
TL;DR: Dimethyl 3-methylhexa-2,4-dienedioate (CAS 61413-56-7) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methylhexa-2,4-dienedioate
Also Known As: dimethyl 3-methylhexa-2,4-dienedioate
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 61413-56-7 |
|---|---|
| SMILES | CC(=CC(=O)OC)C=CC(=O)OC |
| InChIKey | WDFXHNOUHYPKCA-UHFFFAOYSA-N |
Product Overview
Dimethyl 3-methylhexa-2,4-dienedioate (CAS 61413-56-7), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: dimethyl 3-methylhexa-2,4-dienedioate.
Chemical Property Profile of Dimethyl 3-methylhexa-2,4-dienedioate
Property Insights of Dimethyl 3-methylhexa-2,4-dienedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-methylhexa-2,4-dienedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 3-methylhexa-2,4-dienedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 3-methylhexa-2,4-dienedioate has 0 hydrogen bond donor(s) and 4 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 Dimethyl 3-methylhexa-2,4-dienedioate?
The CAS number of Dimethyl 3-methylhexa-2,4-dienedioate is 61413-56-7.
What is the molecular formula of Dimethyl 3-methylhexa-2,4-dienedioate?
The molecular formula of Dimethyl 3-methylhexa-2,4-dienedioate is C9H12O4.
What is the molecular weight of Dimethyl 3-methylhexa-2,4-dienedioate?
The molecular weight of Dimethyl 3-methylhexa-2,4-dienedioate is 184.07 g/mol.
Where can I buy Dimethyl 3-methylhexa-2,4-dienedioate?
You can request a quote for Dimethyl 3-methylhexa-2,4-dienedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-methylhexa-2,4-dienedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-methylhexa-2,4-dienedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.