2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone
TL;DR: 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone (CAS 765281-35-4) is a chemical compound with molecular formula C17H15BrClN3OS and molecular weight 422.98 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-chlorophenyl)thiourea
Also Known As: 2-(allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone, 3-[(5-bromo-2-prop-2-enoxy-phenyl)methylideneamino]-1-(3-chlorophenyl)thiourea, 656-484-4, RefChem:459472
| Molecular Formula | C17H15BrClN3OS |
|---|---|
| Molecular Weight | 422.98 g/mol |
| LogP | 4.9878 |
| Topological Polar Surface Area | 45.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.98077 |
| Heavy Atoms | 24 |
| Complexity | 767.2509 |
Chemical Identifiers
| CAS Number | 765281-35-4 |
|---|---|
| SMILES | C=CCOC1=C(C=C(C=C1)Br)/C=N/NC(=S)NC2=CC(=CC=C2)Cl |
Product Overview
2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone (CAS 765281-35-4), with molecular formula C17H15BrClN3OS and molecular weight 422.98 g/mol. IUPAC: 1-[(E)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-3-(3-chlorophenyl)thiourea.
Chemical Property Profile of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone
Property Insights of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone
The XLogP value of 4.9878 indicates that 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)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-chlorophenyl)thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)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-chlorophenyl)thiosemicarbazone?
The CAS number of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone is 765281-35-4.
What is the molecular formula of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone?
The molecular formula of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone is C17H15BrClN3OS.
What is the molecular weight of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone?
The molecular weight of 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone is 422.98 g/mol.
Where can I buy 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone?
You can request a quote for 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)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-chlorophenyl)thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allyloxy)-5-bromobenzaldehyde N-(3-chlorophenyl)thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.