4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide
TL;DR: 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide (CAS 1023567-58-9) is a chemical compound with molecular formula C19H22ClN3O3S2 and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-[(3,4-dimethoxyphenyl)methyl]thiourea
Also Known As: 4-(3,4-DIMETHOXYBENZYL)-1-(2-(4-CHLOROPHENYLTHIO)PROPIONYL)THIOSEMICARBAZIDE, 1-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-[(3,4-dimethoxyphenyl)methyl]thiourea, 3-[2-(4-chlorophenyl)sulfanylpropanoylamino]-1-[(3,4-dimethoxyphenyl)methyl]thiourea, 2-[(4-chlorophenyl)sulfanyl]-N-({[(3,4-dimethoxyphenyl)methyl]carbamothioyl}amino)propanamide, C19H22ClN3O3S2
| Molecular Formula | C19H22ClN3O3S2 |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 3.5333 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.0791 |
| Heavy Atoms | 28 |
| Complexity | 818.57117 |
Chemical Identifiers
| CAS Number | 1023567-58-9 |
|---|---|
| SMILES | CC(C(=O)NNC(=S)NCC1=CC(=C(C=C1)OC)OC)SC2=CC=C(C=C2)Cl |
Product Overview
4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide (CAS 1023567-58-9), with molecular formula C19H22ClN3O3S2 and molecular weight 439.08 g/mol. IUPAC: 1-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-[(3,4-dimethoxyphenyl)methyl]thiourea.
Chemical Property Profile of 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide
Property Insights of 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide
The XLogP value of 3.5333 indicates that 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide. Following Lipinski's Rule of Five, 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide has 3 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 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide?
The CAS number of 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide is 1023567-58-9.
What is the molecular formula of 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide?
The molecular formula of 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide is C19H22ClN3O3S2.
What is the molecular weight of 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide?
The molecular weight of 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide is 439.08 g/mol.
Where can I buy 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide?
You can request a quote for 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethoxybenzyl)-1-(2-(4-chlorophenylthio)propionyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.