Opera_ID_139
TL;DR: Opera_ID_139 (CAS 1164541-51-8) is a chemical compound with molecular formula C19H19N3O3 and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0017689.P001, (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-methyl-1,3-diazinane-2,4,6-trione, (5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione, (Z)-5-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C19H19N3O3 |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | 2.49416 |
| Topological Polar Surface Area | 71.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.14264 |
| Heavy Atoms | 25 |
| Complexity | 920.1361 |
Chemical Identifiers
| CAS Number | 1164541-51-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)NC(=O)N(C3=O)C)C |
Product Overview
Opera_ID_139 (CAS 1164541-51-8), with molecular formula C19H19N3O3 and molecular weight 337.14 g/mol. IUPAC: (5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Opera_ID_139
Property Insights of Opera_ID_139
The XLogP value of 2.49416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_139. The TPSA of 71.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_139. Following Lipinski's Rule of Five, Opera_ID_139 has 1 hydrogen bond donor(s) and 3 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 Opera_ID_139?
The CAS number of Opera_ID_139 is 1164541-51-8.
What is the molecular formula of Opera_ID_139?
The molecular formula of Opera_ID_139 is C19H19N3O3.
What is the molecular weight of Opera_ID_139?
The molecular weight of Opera_ID_139 is 337.14 g/mol.
Where can I buy Opera_ID_139?
You can request a quote for Opera_ID_139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_139?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.