Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
TL;DR: Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CAS 1002290-44-9) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Also Known As: cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate, 1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-, cyanomethyl ester
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.13818 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 449.78806 |
Chemical Identifiers
| CAS Number | 1002290-44-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)OCC#N |
Product Overview
Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CAS 1002290-44-9), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate.
Chemical Property Profile of Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Property Insights of Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
The XLogP value of 1.13818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate. Following Lipinski's Rule of Five, Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate has 0 hydrogen bond donor(s) and 5 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 Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The CAS number of Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is 1002290-44-9.
What is the molecular formula of Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The molecular formula of Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is C11H9NO4.
What is the molecular weight of Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The molecular weight of Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is 219.05 g/mol.
Where can I buy Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
You can request a quote for Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.