ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate (CAS 607697-33-6) is a chemical compound with molecular formula C17H15ClN2O5 and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate, ethyl 4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-6-amino-2-(chloromethyl)-5-cyano-4H -pyran-3-carboxylate, ethyl 6-amino-4-(benzo[d][1,3]dioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
| Molecular Formula | C17H15ClN2O5 |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 2.27898 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.06696 |
| Heavy Atoms | 25 |
| Complexity | 824.8174 |
Chemical Identifiers
| CAS Number | 607697-33-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2)OCO3)C#N)N)CCl |
Product Overview
ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate (CAS 607697-33-6), with molecular formula C17H15ClN2O5 and molecular weight 362.07 g/mol. IUPAC: ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
The XLogP value of 2.27898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate is 607697-33-6.
What is the molecular formula of ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate is C17H15ClN2O5.
What is the molecular weight of ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate is 362.07 g/mol.
Where can I buy ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.