1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone
TL;DR: 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone (CAS 765275-76-1) is a chemical compound with molecular formula C15H12ClN3O2S and molecular weight 333.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-chlorophenyl)thiourea
Also Known As: SALOR-INT L455024-1EA, 1,3-BENZODIOXOLE-5-CARBALDEHYDE N-(3-CHLOROPHENYL)THIOSEMICARBAZONE, 3-(benzo[1,3]dioxol-5-ylmethylideneamino)-1-(3-chlorophenyl)thiourea, 656-627-0, RefChem:413840
| Molecular Formula | C15H12ClN3O2S |
|---|---|
| Molecular Weight | 333.03 g/mol |
| LogP | 3.3892 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.03387 |
| Heavy Atoms | 22 |
| Complexity | 736.47754 |
Chemical Identifiers
| CAS Number | 765275-76-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=N/NC(=S)NC3=CC(=CC=C3)Cl |
Product Overview
1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone (CAS 765275-76-1), with molecular formula C15H12ClN3O2S and molecular weight 333.03 g/mol. IUPAC: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-chlorophenyl)thiourea.
Chemical Property Profile of 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone
Property Insights of 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone
The XLogP value of 3.3892 indicates that 1,3-Benzodioxole-5-carbaldehyde 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 54.88 Ų, 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone has 2 hydrogen bond donor(s) and 4 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 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone?
The CAS number of 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone is 765275-76-1.
What is the molecular formula of 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone?
The molecular formula of 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone is C15H12ClN3O2S.
What is the molecular weight of 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone?
The molecular weight of 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone is 333.03 g/mol.
Where can I buy 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone?
You can request a quote for 1,3-Benzodioxole-5-carbaldehyde 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 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.