![methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate structure](/static/products/4452/445240-44-8.webp)
methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
TL;DR: methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 445240-44-8) is a chemical compound with molecular formula C23H21BrN2O5 and molecular weight 484.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
Also Known As: methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate, methyl 6-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate, methyl 6-amino-4-(3-((3-bromophenoxy)methyl)-4-methoxyphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C23H21BrN2O5 |
|---|---|
| Molecular Weight | 484.06 g/mol |
| LogP | 4.29138 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.0634 |
| Heavy Atoms | 31 |
| Complexity | 1117.1902 |
Chemical Identifiers
| CAS Number | 445240-44-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)COC3=CC(=CC=C3)Br)C(=O)OC |
Product Overview
methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 445240-44-8), with molecular formula C23H21BrN2O5 and molecular weight 484.06 g/mol. IUPAC: methyl 6-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Property Insights of methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 4.29138 indicates that methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-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-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The CAS number of methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is 445240-44-8.
What is the molecular formula of methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is C23H21BrN2O5.
What is the molecular weight of methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is 484.06 g/mol.
Where can I buy methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-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-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.