2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone
TL;DR: 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone (CAS 765281-62-7) is a chemical compound with molecular formula C18H18BrN3OS and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
Also Known As: SALOR-INT L453269-1EA, 2-(ALLYLOXY)-5-BROMOBENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE, 3-[(5-bromo-2-prop-2-enoxy-phenyl)methylideneamino]-1-(3-methylphenyl)thiourea, 656-465-0, RefChem:459473
| Molecular Formula | C18H18BrN3OS |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 4.64282 |
| Topological Polar Surface Area | 45.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0354 |
| Heavy Atoms | 24 |
| Complexity | 761.67914 |
Chemical Identifiers
| CAS Number | 765281-62-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N/N=C/C2=C(C=CC(=C2)Br)OCC=C |
Product Overview
2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone (CAS 765281-62-7), with molecular formula C18H18BrN3OS and molecular weight 403.04 g/mol. IUPAC: 1-[(E)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea.
Chemical Property Profile of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone
Property Insights of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone
The XLogP value of 4.64282 indicates that 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.65 Ų, 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone 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 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone?
The CAS number of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone is 765281-62-7.
What is the molecular formula of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone?
The molecular formula of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone is C18H18BrN3OS.
What is the molecular weight of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone?
The molecular weight of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone is 403.04 g/mol.
Where can I buy 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone?
You can request a quote for 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allyloxy)-5-bromobenzaldehyde N-(3-methylphenyl)thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.