ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate (CAS 836630-01-4) is a chemical compound with molecular formula C18H17ClN2O6 and molecular weight 392.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxybenzo[d][1,3]dioxol-5-yl)-4H-pyran-3-carboxylate, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy(2H-benzo[3,4-d]1,3-dioxola n-5-yl))-4H-pyran-3-carboxylate
| Molecular Formula | C18H17ClN2O6 |
|---|---|
| Molecular Weight | 392.08 g/mol |
| LogP | 2.28758 |
| Topological Polar Surface Area | 113.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0775 |
| Heavy Atoms | 27 |
| Complexity | 886.5734 |
Chemical Identifiers
| CAS Number | 836630-01-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C(=C2)OC)OCO3)C#N)N)CCl |
Product Overview
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate (CAS 836630-01-4), with molecular formula C18H17ClN2O6 and molecular weight 392.08 g/mol. IUPAC: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate
The XLogP value of 2.28758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate. The TPSA of 113.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 8 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-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate is 836630-01-4.
What is the molecular formula of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate is C18H17ClN2O6.
What is the molecular weight of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate is 392.08 g/mol.
Where can I buy ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-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-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.