![methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate structure](/static/products/4780/478016-82-9.webp)
methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate
TL;DR: methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate (CAS 478016-82-9) is a chemical compound with molecular formula C23H24N2O6 and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[(Z)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate
Also Known As: methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate, Methyl 4-[[4-[(Z)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate
| Molecular Formula | C23H24N2O6 |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 2.73038 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.16342 |
| Heavy Atoms | 31 |
| Complexity | 976.5515 |
Chemical Identifiers
| CAS Number | 478016-82-9 |
|---|---|
| SMILES | COCCNC(=O)/C(=C\C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)OC)/C#N |
Product Overview
methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate (CAS 478016-82-9), with molecular formula C23H24N2O6 and molecular weight 424.16 g/mol. IUPAC: methyl 4-[[4-[(Z)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate.
Chemical Property Profile of methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate
Property Insights of methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate
The XLogP value of 2.73038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate 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 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate?
The CAS number of methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate is 478016-82-9.
What is the molecular formula of methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate?
The molecular formula of methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate is C23H24N2O6.
What is the molecular weight of methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate?
The molecular weight of methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate is 424.16 g/mol.
Where can I buy methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate?
You can request a quote for methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.