![methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate structure](/static/products/4452/445232-26-8.webp)
methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
TL;DR: methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 445232-26-8) is a chemical compound with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
Also Known As: methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate, methyl 6-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate, methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate, Methyl 6-amino-4-[5-[(3-bromophenoxy)methyl]-2-furyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C20H17BrN2O5 |
|---|---|
| Molecular Weight | 444.03 g/mol |
| LogP | 3.87578 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.03207 |
| Heavy Atoms | 28 |
| Complexity | 1015.5985 |
Chemical Identifiers
| CAS Number | 445232-26-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(O2)COC3=CC(=CC=C3)Br)C(=O)OC |
Product Overview
methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 445232-26-8), with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol. IUPAC: methyl 6-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Property Insights of methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 3.87578 indicates that methyl 6-amino-4-{5-[(3-bromophenoxy)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-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-amino-4-{5-[(3-bromophenoxy)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-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The CAS number of methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is 445232-26-8.
What is the molecular formula of methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is C20H17BrN2O5.
What is the molecular weight of methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is 444.03 g/mol.
Where can I buy methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for methyl 6-amino-4-{5-[(3-bromophenoxy)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-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-amino-4-{5-[(3-bromophenoxy)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.