![1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone structure](/static/products/7008/700862-01-7.webp)
1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone
TL;DR: 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone (CAS 700862-01-7) is a chemical compound with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone, 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone, 1,1'-(1-(4-(3,4-dimethoxyphenyl)-5-methylthiazol-2-yl)-2,5-dimethyl-1H-pyrrole-3,4-diyl)diethanone
| Molecular Formula | C22H24N2O4S |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 4.94846 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1457 |
| Heavy Atoms | 29 |
| Complexity | 1087.0237 |
Chemical Identifiers
| CAS Number | 700862-01-7 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2=NC(=C(S2)C)C3=CC(=C(C=C3)OC)OC)C)C(=O)C)C(=O)C |
Product Overview
1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone (CAS 700862-01-7), with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol. IUPAC: 1-[4-acetyl-1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone
Property Insights of 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone
The XLogP value of 4.94846 indicates that 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone. Following Lipinski's Rule of Five, 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone 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 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone?
The CAS number of 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone is 700862-01-7.
What is the molecular formula of 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone?
The molecular formula of 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone is C22H24N2O4S.
What is the molecular weight of 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone?
The molecular weight of 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone is 412.15 g/mol.
Where can I buy 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone?
You can request a quote for 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-{1-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethyl-1H-pyrrole-3,4-diyl}diethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.