4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide
TL;DR: 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide (CAS 1024316-58-2) is a chemical compound with molecular formula C17H20N4OS and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-4-propan-2-ylphenyl)-3-(pyridine-4-carbonylamino)thiourea
Also Known As: 4-(3-methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide, N-({[3-methyl-4-(propan-2-yl)phenyl]carbamothioyl}amino)pyridine-4-carboxamide, 1-(3-methyl-4-propan-2-ylphenyl)-3-(pyridine-4-carbonylamino)thiourea, 1-(3-methyl-4-propan-2-yl-phenyl)-3-(pyridine-4-carbonylamino)thiourea, 1-(4-isopropyl-3-methyl-phenyl)-3-(pyridine-4-carbonylamino)thiourea
| Molecular Formula | C17H20N4OS |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 3.14482 |
| Topological Polar Surface Area | 66.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.13577 |
| Heavy Atoms | 23 |
| Complexity | 700.9945 |
Chemical Identifiers
| CAS Number | 1024316-58-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=S)NNC(=O)C2=CC=NC=C2)C(C)C |
Product Overview
4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide (CAS 1024316-58-2), with molecular formula C17H20N4OS and molecular weight 328.14 g/mol. IUPAC: 1-(3-methyl-4-propan-2-ylphenyl)-3-(pyridine-4-carbonylamino)thiourea.
Chemical Property Profile of 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide
Property Insights of 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide
The XLogP value of 3.14482 indicates that 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide. Following Lipinski's Rule of Five, 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide has 3 hydrogen bond donor(s) and 3 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-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide?
The CAS number of 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide is 1024316-58-2.
What is the molecular formula of 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide?
The molecular formula of 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide is C17H20N4OS.
What is the molecular weight of 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide?
The molecular weight of 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide is 328.14 g/mol.
Where can I buy 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide?
You can request a quote for 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)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-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methyl-4-(isopropyl)phenyl)-1-(4-pyridinecarboxyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.