BIM-0014621.P001
TL;DR: BIM-0014621.P001 (CAS 340319-79-1) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0014621.P001, A2440/0103405, 5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-2,6-dihydroxy-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]pyrimidin-4(5H)-one
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 340319-79-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C)C)C=C2C(=O)NC(=O)NC2=O |
| InChIKey | MLTSEFIKMJOBFA-UHFFFAOYSA-N |
Product Overview
BIM-0014621.P001 (CAS 340319-79-1), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BIM-0014621.P001
Property Insights of BIM-0014621.P001
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0014621.P001. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0014621.P001. Following Lipinski's Rule of Five, BIM-0014621.P001 has 2 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 BIM-0014621.P001?
The CAS number of BIM-0014621.P001 is 340319-79-1.
What is the molecular formula of BIM-0014621.P001?
The molecular formula of BIM-0014621.P001 is C12H13N3O3.
What is the molecular weight of BIM-0014621.P001?
The molecular weight of BIM-0014621.P001 is 247.10 g/mol.
Where can I buy BIM-0014621.P001?
You can request a quote for BIM-0014621.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0014621.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0014621.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.