Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate
TL;DR: Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate (CAS 5424-55-5) is a chemical compound with molecular formula C13H15NO5 and molecular weight 265.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(2,3-dimethoxyphenyl)methyl] ethyl carbonate
Also Known As: cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate, [cyano-(2,3-dimethoxyphenyl)methyl] ethyl carbonate, J1.865.283H, alpha-(Ethoxycarbonyloxy)-2,3-dimethoxybenzeneacetonitrile, 2-(2,3-DIMETHOXYPHENYL)-2-[(ETHOXYCARBONYL)OXY]ACETONITRILE
| Molecular Formula | C13H15NO5 |
|---|---|
| Molecular Weight | 265.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 265.09503 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 5424-55-5 |
|---|---|
| SMILES | CCOC(=O)OC(C#N)C1=C(C(=CC=C1)OC)OC |
| InChIKey | GWWVYPYNGQHIAU-UHFFFAOYSA-N |
Product Overview
Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate (CAS 5424-55-5), with molecular formula C13H15NO5 and molecular weight 265.10 g/mol. IUPAC: [cyano-(2,3-dimethoxyphenyl)methyl] ethyl carbonate.
Chemical Property Profile of Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate
Property Insights of Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate. Following Lipinski's Rule of Five, Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate has 0 hydrogen bond donor(s) and 6 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 Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate?
The CAS number of Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate is 5424-55-5.
What is the molecular formula of Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate?
The molecular formula of Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate is C13H15NO5.
What is the molecular weight of Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate?
The molecular weight of Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate is 265.10 g/mol.
Where can I buy Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate?
You can request a quote for Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Cyano(2,3-dimethoxyphenyl)methyl ethyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.