MixCom6_002268
TL;DR: MixCom6_002268 (CAS 340309-84-4) is a chemical compound with molecular formula C18H12BrN3O7 and molecular weight 460.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: MixCom6_002268, BIM-0040086.P001, (5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(4-bromophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (E)-1-(4-bromophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C18H12BrN3O7 |
|---|---|
| Molecular Weight | 460.99 g/mol |
| LogP | 2.7379 |
| Topological Polar Surface Area | 139.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.98587 |
| Heavy Atoms | 29 |
| Complexity | 1079.6074 |
Chemical Identifiers
| CAS Number | 340309-84-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br |
Product Overview
MixCom6_002268 (CAS 340309-84-4), with molecular formula C18H12BrN3O7 and molecular weight 460.99 g/mol. IUPAC: (5E)-1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of MixCom6_002268
Property Insights of MixCom6_002268
The XLogP value of 2.7379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_002268. The TPSA of 139.08 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002268. Following Lipinski's Rule of Five, MixCom6_002268 has 2 hydrogen bond donor(s) and 7 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 MixCom6_002268?
The CAS number of MixCom6_002268 is 340309-84-4.
What is the molecular formula of MixCom6_002268?
The molecular formula of MixCom6_002268 is C18H12BrN3O7.
What is the molecular weight of MixCom6_002268?
The molecular weight of MixCom6_002268 is 460.99 g/mol.
Where can I buy MixCom6_002268?
You can request a quote for MixCom6_002268 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002268?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002268 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.