![methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate structure](/static/products/7019/701953-52-8.webp)
methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
TL;DR: methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 701953-52-8) is a chemical compound with molecular formula C20H31N5O3S3 and molecular weight 485.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-(2-(cyclohexylcarbamothioyl)hydrazinecarbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 5-(N,N-diethylcarbamoyl)-2-[({2-[(cyclohexylamino)thioxomethyl]hydrazin o}thioxomethyl)amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C20H31N5O3S3 |
|---|---|
| Molecular Weight | 485.16 g/mol |
| LogP | 3.32332 |
| Topological Polar Surface Area | 94.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.1589 |
| Heavy Atoms | 31 |
| Complexity | 817.2276 |
Chemical Identifiers
| CAS Number | 701953-52-8 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=S)NC2CCCCC2)C(=O)OC)C |
Product Overview
methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 701953-52-8), with molecular formula C20H31N5O3S3 and molecular weight 485.16 g/mol. IUPAC: methyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Property Insights of methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
The XLogP value of 3.32332 indicates that methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.73 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate has 4 hydrogen bond donor(s) and 6 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 methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The CAS number of methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 701953-52-8.
What is the molecular formula of methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is C20H31N5O3S3.
What is the molecular weight of methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 485.16 g/mol.
Where can I buy methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.