MixCom6_001909
TL;DR: MixCom6_001909 (CAS 473575-06-3) is a chemical compound with molecular formula C20H17BrN4O4 and molecular weight 456.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-7-(3-nitrophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: MixCom6_001909, BIM-0032065.P001, A3562/0151103, 2-(4-bromophenyl)-9-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 2-(4-bromophenyl)-9-(3-nitrophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
| Molecular Formula | C20H17BrN4O4 |
|---|---|
| Molecular Weight | 456.04 g/mol |
| LogP | 2.8929 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.04333 |
| Heavy Atoms | 29 |
| Complexity | 1027.3962 |
Chemical Identifiers
| CAS Number | 473575-06-3 |
|---|---|
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
MixCom6_001909 (CAS 473575-06-3), with molecular formula C20H17BrN4O4 and molecular weight 456.04 g/mol. IUPAC: 4-(4-bromophenyl)-7-(3-nitrophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of MixCom6_001909
Property Insights of MixCom6_001909
The XLogP value of 2.8929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_001909. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001909. Following Lipinski's Rule of Five, MixCom6_001909 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 MixCom6_001909?
The CAS number of MixCom6_001909 is 473575-06-3.
What is the molecular formula of MixCom6_001909?
The molecular formula of MixCom6_001909 is C20H17BrN4O4.
What is the molecular weight of MixCom6_001909?
The molecular weight of MixCom6_001909 is 456.04 g/mol.
Where can I buy MixCom6_001909?
You can request a quote for MixCom6_001909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001909?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.