methyl ylate
TL;DR: methyl ylate (CAS 329066-45-7) is a chemical compound with molecular formula C24H21ClN2O5 and molecular weight 452.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: methyl ylate, methyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,6,7,8-pentahydr oquinoline-3-carboxylate
| Molecular Formula | C24H21ClN2O5 |
|---|---|
| Molecular Weight | 452.11 g/mol |
| LogP | 4.7828 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.1139 |
| Heavy Atoms | 32 |
| Complexity | 1165.8806 |
Chemical Identifiers
| CAS Number | 329066-45-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC |
Product Overview
methyl ylate (CAS 329066-45-7), with molecular formula C24H21ClN2O5 and molecular weight 452.11 g/mol. IUPAC: methyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of methyl ylate
Property Insights of methyl ylate
The XLogP value of 4.7828 indicates that methyl ylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl ylate. Following Lipinski's Rule of Five, methyl ylate has 1 hydrogen bond donor(s) and 6 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 ylate?
The CAS number of methyl ylate is 329066-45-7.
What is the molecular formula of methyl ylate?
The molecular formula of methyl ylate is C24H21ClN2O5.
What is the molecular weight of methyl ylate?
The molecular weight of methyl ylate is 452.11 g/mol.
Where can I buy methyl ylate?
You can request a quote for methyl ylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl ylate?
Yes, KEHONG BIO provides custom synthesis services for methyl ylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.