![4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide structure](/static/products/876/876353-82-1.png)
4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide
TL;DR: 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide (CAS 876353-82-1) is a chemical compound with molecular formula C21H31N3O2S and molecular weight 389.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-cyclohexylpropanamide
Also Known As: 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide, 3-cyclohexyl-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]propanamide, N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-cyclohexylpropanamide, N-[2-(4-tert-Butylbenzoyl)hydrazinecarbothioyl]-3-cyclohexylpropanamide
| Molecular Formula | C21H31N3O2S |
|---|---|
| Molecular Weight | 389.21 g/mol |
| LogP | 3.9801 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.21368 |
| Heavy Atoms | 27 |
| Complexity | 658.99945 |
Chemical Identifiers
| CAS Number | 876353-82-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2CCCCC2 |
Product Overview
4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide (CAS 876353-82-1), with molecular formula C21H31N3O2S and molecular weight 389.21 g/mol. IUPAC: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-cyclohexylpropanamide.
Chemical Property Profile of 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide
Property Insights of 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide
The XLogP value of 3.9801 indicates that 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide. Following Lipinski's Rule of Five, 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide 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-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide?
The CAS number of 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide is 876353-82-1.
What is the molecular formula of 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide?
The molecular formula of 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide is C21H31N3O2S.
What is the molecular weight of 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide?
The molecular weight of 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide is 389.21 g/mol.
Where can I buy 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide?
You can request a quote for 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Dimethylethyl)benzoic acid 2-[[(3-cyclohexyl-1-oxopropyl)amino]thioxomethyl]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.