1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone
TL;DR: 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone (CAS 5632-60-0) is a chemical compound with molecular formula C16H13BrN4O2 and molecular weight 372.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzyl-5-bromo-2-hydroxyindol-3-yl)iminourea
Also Known As: BAS 00348272, 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone, BIM-0026527.P001, AB00091309-01, (1-benzyl-5-bromo-2-hydroxyindol-3-yl)iminourea
| Molecular Formula | C16H13BrN4O2 |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 4.3201 |
| Topological Polar Surface Area | 92.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.0222 |
| Heavy Atoms | 23 |
| Complexity | 903.3343 |
Chemical Identifiers
| CAS Number | 5632-60-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=C2O)N=NC(=O)N |
Product Overview
1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone (CAS 5632-60-0), with molecular formula C16H13BrN4O2 and molecular weight 372.02 g/mol. IUPAC: (1-benzyl-5-bromo-2-hydroxyindol-3-yl)iminourea.
Chemical Property Profile of 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone
Property Insights of 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone
The XLogP value of 4.3201 indicates that 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone. Following Lipinski's Rule of Five, 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone has 2 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 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone?
The CAS number of 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone is 5632-60-0.
What is the molecular formula of 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone?
The molecular formula of 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone is C16H13BrN4O2.
What is the molecular weight of 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone?
The molecular weight of 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone is 372.02 g/mol.
Where can I buy 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone?
You can request a quote for 1-benzyl-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 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-bromo-1H-indole-2,3-dione 3-semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.