CAS 470693-58-4 - C17H14BrN3O5
TL;DR: CAS 470693-58-4 - C17H14BrN3O5 (CAS 470693-58-4) is a chemical compound with molecular formula C17H14BrN3O5 and molecular weight 419.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Also Known As: 2-[[(5-Bromo-2-hydroxy-3-nitrophenyl)methylene]amino]-3a,4,7,7a-tetrahydro-4,7-ethano-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C17H14BrN3O5 |
|---|---|
| Molecular Weight | 419.01 g/mol |
| LogP | 2.594 |
| Topological Polar Surface Area | 113.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.0117 |
| Heavy Atoms | 26 |
| Complexity | 864.6297 |
Chemical Identifiers
| CAS Number | 470693-58-4 |
|---|---|
| SMILES | C1CC2C=CC1C3C2C(=O)N(C3=O)N=CC4=C(C(=CC(=C4)Br)[N+](=O)[O-])O |
Product Overview
CAS 470693-58-4 - C17H14BrN3O5 (CAS 470693-58-4), with molecular formula C17H14BrN3O5 and molecular weight 419.01 g/mol. IUPAC: 4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
Chemical Property Profile of CAS 470693-58-4 - C17H14BrN3O5
Property Insights of CAS 470693-58-4 - C17H14BrN3O5
The XLogP value of 2.594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 470693-58-4 - C17H14BrN3O5. The TPSA of 113.11 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 470693-58-4 - C17H14BrN3O5. Following Lipinski's Rule of Five, CAS 470693-58-4 - C17H14BrN3O5 has 1 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 CAS 470693-58-4 - C17H14BrN3O5?
The CAS number of CAS 470693-58-4 - C17H14BrN3O5 is 470693-58-4.
What is the molecular formula of CAS 470693-58-4 - C17H14BrN3O5?
The molecular formula of CAS 470693-58-4 - C17H14BrN3O5 is C17H14BrN3O5.
What is the molecular weight of CAS 470693-58-4 - C17H14BrN3O5?
The molecular weight of CAS 470693-58-4 - C17H14BrN3O5 is 419.01 g/mol.
Where can I buy CAS 470693-58-4 - C17H14BrN3O5?
You can request a quote for CAS 470693-58-4 - C17H14BrN3O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 470693-58-4 - C17H14BrN3O5?
Yes, KEHONG BIO provides custom synthesis services for CAS 470693-58-4 - C17H14BrN3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.