(Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 449769-82-8) is a chemical compound with molecular formula C23H23NO5S and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-1-(3,4-dimethoxyphenyl)-2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxopyrrole-3-carboxylate
Also Known As: (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-1-(3,4-dimethoxyphenyl)-2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxopyrrole-3-carboxylate, methyl (4Z)-1-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)benzylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, METHYL (4Z)-1-(3,4-DIMETHOXYPHENYL)-2-METHYL-4-{[4-(METHYLSULFANYL)PHENYL]METHYLIDENE}-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C23H23NO5S |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 4.3029 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.1297 |
| Heavy Atoms | 30 |
| Complexity | 1040.0591 |
Chemical Identifiers
| CAS Number | 449769-82-8 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC=C(C=C2)SC)/C(=O)N1C3=CC(=C(C=C3)OC)OC)C(=O)OC |
Product Overview
(Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 449769-82-8), with molecular formula C23H23NO5S and molecular weight 425.13 g/mol. IUPAC: methyl (4Z)-1-(3,4-dimethoxyphenyl)-2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 4.3029 indicates that (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate has 0 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 (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 449769-82-8.
What is the molecular formula of (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C23H23NO5S.
What is the molecular weight of (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 425.13 g/mol.
Where can I buy (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 1-(3,4-dimethoxyphenyl)-2-methyl-4-(4-(methylthio)benzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.