1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide
TL;DR: 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide (CAS 207290-53-7) is a chemical compound with molecular formula C25H35N3O2S and molecular weight 441.25 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-propan-2-yloxyphenyl)methyl]thiourea
Also Known As: 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide, 4-(Heptyloxy)benzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone, 4-(Heptyloxy)benzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone #, (2E)-2-[4-(heptyloxy)benzylidene]-N-[4-(propan-2-yloxy)benzyl]hydrazinecarbothioamide, (E)-2-(4-(heptyloxy)benzylidene)-N-(4-isopropoxybenzyl)hydrazinecarbothioamide
| Molecular Formula | C25H35N3O2S |
|---|---|
| Molecular Weight | 441.25 g/mol |
| LogP | 5.8212 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 441.245 |
| Heavy Atoms | 31 |
| Complexity | 789.4193 |
Chemical Identifiers
| CAS Number | 207290-53-7 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)/C=N/NC(=S)NCC2=CC=C(C=C2)OC(C)C |
Product Overview
1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide (CAS 207290-53-7), with molecular formula C25H35N3O2S and molecular weight 441.25 g/mol. IUPAC: 1-[(E)-(4-heptoxyphenyl)methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea.
Chemical Property Profile of 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide
Property Insights of 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide
The XLogP value of 5.8212 indicates that 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide 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-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide 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 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide?
The CAS number of 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide is 207290-53-7.
What is the molecular formula of 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide?
The molecular formula of 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide is C25H35N3O2S.
What is the molecular weight of 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide?
The molecular weight of 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide is 441.25 g/mol.
Where can I buy 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide?
You can request a quote for 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Heptyloxybenzylidene)-4-(4-isopropoxybenzyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.