N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide
TL;DR: N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide (CAS 578758-30-2) is a chemical compound with molecular formula C15H17BrN4OS and molecular weight 380.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]azepane-1-carbothioamide
Also Known As: N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide, (Z)-N'-(5-bromo-2-oxoindolin-3-ylidene)azepane-1-carbothiohydrazide, N'-[(3Z)-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene]azepane-1-carbothiohydrazide
| Molecular Formula | C15H17BrN4OS |
|---|---|
| Molecular Weight | 380.03 g/mol |
| LogP | 4.8806 |
| Topological Polar Surface Area | 63.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.03064 |
| Heavy Atoms | 22 |
| Complexity | 719.6459 |
Chemical Identifiers
| CAS Number | 578758-30-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=S)N=NC2=C(NC3=C2C=C(C=C3)Br)O |
Product Overview
N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide (CAS 578758-30-2), with molecular formula C15H17BrN4OS and molecular weight 380.03 g/mol. IUPAC: N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]azepane-1-carbothioamide.
Chemical Property Profile of N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide
Property Insights of N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide
The XLogP value of 4.8806 indicates that N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide. Following Lipinski's Rule of Five, N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide 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 N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide?
The CAS number of N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide is 578758-30-2.
What is the molecular formula of N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide?
The molecular formula of N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide is C15H17BrN4OS.
What is the molecular weight of N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide?
The molecular weight of N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide is 380.03 g/mol.
Where can I buy N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide?
You can request a quote for N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(5-bromo-2-oxoindol-3-yl)azepane-1-carbothiohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.