5-Bromosalicylaldehyde-4-phenylthiosemicarbazone
TL;DR: 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone (CAS 39643-68-0) is a chemical compound with molecular formula C14H12BrN3OS and molecular weight 348.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylthiourea
Also Known As: 5-bromosalicylaldehyde-4-phenylthiosemicarbazone, 5-bromo-2-hydroxybenzaldehyde N-phenylthiosemicarbazone
| Molecular Formula | C14H12BrN3OS |
|---|---|
| Molecular Weight | 348.99 g/mol |
| LogP | 3.4752 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.98846 |
| Heavy Atoms | 20 |
| Complexity | 631.57104 |
Chemical Identifiers
| CAS Number | 39643-68-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NN=CC2=C(C=CC(=C2)Br)O |
Product Overview
5-Bromosalicylaldehyde-4-phenylthiosemicarbazone (CAS 39643-68-0), with molecular formula C14H12BrN3OS and molecular weight 348.99 g/mol. IUPAC: 1-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylthiourea.
Chemical Property Profile of 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone
Property Insights of 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone
The XLogP value of 3.4752 indicates that 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.65 Ų, 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone 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-Bromosalicylaldehyde-4-phenylthiosemicarbazone?
The CAS number of 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone is 39643-68-0.
What is the molecular formula of 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone?
The molecular formula of 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone is C14H12BrN3OS.
What is the molecular weight of 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone?
The molecular weight of 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone is 348.99 g/mol.
Where can I buy 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone?
You can request a quote for 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromosalicylaldehyde-4-phenylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.