Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester
TL;DR: Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester (CAS 167956-29-8) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienyl 2-diazoacetate
Also Known As: Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester, 2-diazonio-1-(3,7-dimethylocta-2,6-dienoxy)ethenolate, 2-Diazonio-1-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]ethen-1-olate
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 2.5229 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 332.92792 |
Chemical Identifiers
| CAS Number | 167956-29-8 |
|---|---|
| SMILES | CC(=CCCC(=CCOC(=O)C=[N+]=[N-])C)C |
Product Overview
Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester (CAS 167956-29-8), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl 2-diazoacetate.
Chemical Property Profile of Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester
Property Insights of Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester
The XLogP value of 2.5229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester. Following Lipinski's Rule of Five, Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester 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 Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
The CAS number of Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester is 167956-29-8.
What is the molecular formula of Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
The molecular formula of Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester is C12H18N2O2.
What is the molecular weight of Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
The molecular weight of Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester is 222.14 g/mol.
Where can I buy Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
You can request a quote for Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, diazo-, (2E)-3,7-dimethyl-2,6-octadienyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.