1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide
TL;DR: 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide (CAS 328062-67-5) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
Also Known As: BAS 00289129, AE-848/31944009, 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide, 3,4-Dimethoxybenzaldehyde N-(4-methoxybenzyl)thiosemicarbazone #, (E)-2-(3,4-dimethoxybenzylidene)-N-(4-methoxybenzyl)hydrazinecarbothioamide
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 2.7106 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 732.8462 |
Chemical Identifiers
| CAS Number | 328062-67-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC(=C(C=C2)OC)OC |
Product Overview
1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide (CAS 328062-67-5), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea.
Chemical Property Profile of 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide
Property Insights of 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide
The XLogP value of 2.7106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide has 2 hydrogen bond donor(s) and 5 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-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide?
The CAS number of 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide is 328062-67-5.
What is the molecular formula of 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide?
The molecular formula of 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide is C18H21N3O3S.
What is the molecular weight of 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide?
The molecular weight of 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide is 359.13 g/mol.
Where can I buy 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide?
You can request a quote for 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxybenzylidene)-4-(4-methoxybenzyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.