![methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate structure](/static/products/4452/445232-13-3.webp)
methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
TL;DR: methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 445232-13-3) is a chemical compound with molecular formula C21H19ClN2O5 and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-4-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
Also Known As: methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate, methyl 6-amino-4-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate, methyl 6-amino-4-(5-((4-chloro-3-methylphenoxy)methyl)furan-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate, methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C21H19ClN2O5 |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 4.0751 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.09824 |
| Heavy Atoms | 29 |
| Complexity | 1061.264 |
Chemical Identifiers
| CAS Number | 445232-13-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=C(O2)C3C(=C(OC(=C3C(=O)OC)C)N)C#N)Cl |
Product Overview
methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 445232-13-3), with molecular formula C21H19ClN2O5 and molecular weight 414.10 g/mol. IUPAC: methyl 6-amino-4-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Property Insights of methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 4.0751 indicates that methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-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 methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The CAS number of methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is 445232-13-3.
What is the molecular formula of methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is C21H19ClN2O5.
What is the molecular weight of methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is 414.10 g/mol.
Where can I buy methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-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 methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.