Bionet1_004896
TL;DR: Bionet1_004896 (CAS 428458-95-1) is a chemical compound with molecular formula C17H14BrN3O3 and molecular weight 387.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: Bionet1_004896, MixCom3_000086, 5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 1T-0616, 5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C17H14BrN3O3 |
|---|---|
| Molecular Weight | 387.02 g/mol |
| LogP | 2.6736 |
| Topological Polar Surface Area | 62.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.02185 |
| Heavy Atoms | 24 |
| Complexity | 841.4609 |
Chemical Identifiers
| CAS Number | 428458-95-1 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)Br)C(=O)N(C1=O)C |
Product Overview
Bionet1_004896 (CAS 428458-95-1), with molecular formula C17H14BrN3O3 and molecular weight 387.02 g/mol. IUPAC: 5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Bionet1_004896
Property Insights of Bionet1_004896
The XLogP value of 2.6736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004896. The TPSA of 62.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004896. Following Lipinski's Rule of Five, Bionet1_004896 has 0 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 Bionet1_004896?
The CAS number of Bionet1_004896 is 428458-95-1.
What is the molecular formula of Bionet1_004896?
The molecular formula of Bionet1_004896 is C17H14BrN3O3.
What is the molecular weight of Bionet1_004896?
The molecular weight of Bionet1_004896 is 387.02 g/mol.
Where can I buy Bionet1_004896?
You can request a quote for Bionet1_004896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004896?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.