![methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate structure](/static/products/7082/708231-18-9.webp)
methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate
TL;DR: methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate (CAS 708231-18-9) is a chemical compound with molecular formula C23H29N3O7S2 and molecular weight 523.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(diethylcarbamoyl)-2-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate
Also Known As: methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-2-(3-(4,5-dimethoxy-2-(methoxycarbonyl)phenyl)thioureido)-4-methylthiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-2-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate, methyl 5-(N,N-diethylcarbamoyl)-2-[({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl] amino}thioxomethyl)amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C23H29N3O7S2 |
|---|---|
| Molecular Weight | 523.14 g/mol |
| LogP | 3.93782 |
| Topological Polar Surface Area | 115.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.1447 |
| Heavy Atoms | 35 |
| Complexity | 1126.8036 |
Chemical Identifiers
| CAS Number | 708231-18-9 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC)C(=O)OC)C |
Product Overview
methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate (CAS 708231-18-9), with molecular formula C23H29N3O7S2 and molecular weight 523.14 g/mol. IUPAC: methyl 5-(diethylcarbamoyl)-2-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate
Property Insights of methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate
The XLogP value of 3.93782 indicates that methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate?
The CAS number of methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate is 708231-18-9.
What is the molecular formula of methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate is C23H29N3O7S2.
What is the molecular weight of methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate is 523.14 g/mol.
Where can I buy methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-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 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(diethylcarbamoyl)-2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.