4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone
TL;DR: 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone (CAS 207290-55-9) is a chemical compound with molecular formula C26H37N3O2S and molecular weight 455.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(4-heptoxyphenyl)methylideneamino]-3-[[4-(2-methylpropoxy)phenyl]methyl]thiourea
Also Known As: 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone, 1-[(E)-(4-heptoxyphenyl)methylideneamino]-3-[[4-(2-methylpropoxy)phenyl]methyl]thiourea, (2E)-2-[4-(heptyloxy)benzylidene]-N-[4-(2-methylpropoxy)benzyl]hydrazinecarbothioamide, (E)-2-(4-(heptyloxy)benzylidene)-N-(4-isobutoxybenzyl)hydrazinecarbothioamide, {[(1E)-2-(4-heptyloxyphenyl)-1-azavinyl]amino}({[4-(2-methylpropoxy)phenyl]met hyl}amino)methane-1-thione
| Molecular Formula | C26H37N3O2S |
|---|---|
| Molecular Weight | 455.26 g/mol |
| LogP | 6.0688 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 455.26065 |
| Heavy Atoms | 32 |
| Complexity | 804.82666 |
Chemical Identifiers
| CAS Number | 207290-55-9 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)/C=N/NC(=S)NCC2=CC=C(C=C2)OCC(C)C |
Product Overview
4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone (CAS 207290-55-9), with molecular formula C26H37N3O2S and molecular weight 455.26 g/mol. IUPAC: 1-[(E)-(4-heptoxyphenyl)methylideneamino]-3-[[4-(2-methylpropoxy)phenyl]methyl]thiourea.
Chemical Property Profile of 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone
Property Insights of 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone
The XLogP value of 6.0688 indicates that 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)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, 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone?
The CAS number of 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone is 207290-55-9.
What is the molecular formula of 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone?
The molecular formula of 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone is C26H37N3O2S.
What is the molecular weight of 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone?
The molecular weight of 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone is 455.26 g/mol.
Where can I buy 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone?
You can request a quote for 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-(heptyloxy)benzaldehyde N-(4-isobutoxybenzyl)thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.