5-bromo-1H-indole-2,3-dione 3-semicarbazone
TL;DR: 5-bromo-1H-indole-2,3-dione 3-semicarbazone (CAS 331649-46-8) is a chemical compound with molecular formula C9H7BrN4O2 and molecular weight 281.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-2-hydroxy-1H-indol-3-yl)iminourea
Also Known As: [(5-bromo-2-oxoindol-3-yl)amino]urea|5-bromo-1H-indole-2,3-dione 3-semicarbazone|BAS 00233546|(5-bromo-2-hydroxy-1H-indol-3-yl)iminourea|AI-204/31729056|amino-N-[(5-bromo-2-oxobenzo[d]azolin-3-ylidene)azamethyl]amide
| Molecular Formula | C9H7BrN4O2 |
|---|---|
| Molecular Weight | 281.98 g/mol |
| LogP | 2.7984 |
| Topological Polar Surface Area | 103.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.97525 |
| Heavy Atoms | 16 |
| Complexity | 590.45166 |
Chemical Identifiers
| CAS Number | 331649-46-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=C(N2)O)N=NC(=O)N |
Product Overview
5-bromo-1H-indole-2,3-dione 3-semicarbazone (CAS 331649-46-8), with molecular formula C9H7BrN4O2 and molecular weight 281.98 g/mol. IUPAC: (5-bromo-2-hydroxy-1H-indol-3-yl)iminourea.
Chemical Property Profile of 5-bromo-1H-indole-2,3-dione 3-semicarbazone
Property Insights of 5-bromo-1H-indole-2,3-dione 3-semicarbazone
The XLogP value of 2.7984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-1H-indole-2,3-dione 3-semicarbazone. The TPSA of 103.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-1H-indole-2,3-dione 3-semicarbazone. Following Lipinski's Rule of Five, 5-bromo-1H-indole-2,3-dione 3-semicarbazone has 3 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 5-bromo-1H-indole-2,3-dione 3-semicarbazone?
The CAS number of 5-bromo-1H-indole-2,3-dione 3-semicarbazone is 331649-46-8.
What is the molecular formula of 5-bromo-1H-indole-2,3-dione 3-semicarbazone?
The molecular formula of 5-bromo-1H-indole-2,3-dione 3-semicarbazone is C9H7BrN4O2.
What is the molecular weight of 5-bromo-1H-indole-2,3-dione 3-semicarbazone?
The molecular weight of 5-bromo-1H-indole-2,3-dione 3-semicarbazone is 281.98 g/mol.
Where can I buy 5-bromo-1H-indole-2,3-dione 3-semicarbazone?
You can request a quote for 5-bromo-1H-indole-2,3-dione 3-semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-1H-indole-2,3-dione 3-semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-1H-indole-2,3-dione 3-semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.