![methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate structure](/static/products/1049/1049983-57-4.webp)
methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate
TL;DR: methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate (CAS 1049983-57-4) is a chemical compound with molecular formula C28H21N3O4 and molecular weight 463.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-enyl]phenoxy]methyl]benzoate
Also Known As: methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate, methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-enyl]phenoxy]methyl]benzoate
| Molecular Formula | C28H21N3O4 |
|---|---|
| Molecular Weight | 463.15 g/mol |
| LogP | 5.14608 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.1532 |
| Heavy Atoms | 35 |
| Complexity | 1430.8042 |
Chemical Identifiers
| CAS Number | 1049983-57-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC4=C3C=CC=N4 |
Product Overview
methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate (CAS 1049983-57-4), with molecular formula C28H21N3O4 and molecular weight 463.15 g/mol. IUPAC: methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-enyl]phenoxy]methyl]benzoate.
Chemical Property Profile of methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate
Property Insights of methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate
The XLogP value of 5.14608 indicates that methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
The CAS number of methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate is 1049983-57-4.
What is the molecular formula of methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
The molecular formula of methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate is C28H21N3O4.
What is the molecular weight of methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
The molecular weight of methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate is 463.15 g/mol.
Where can I buy methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
You can request a quote for methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)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-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}phenoxy)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.