methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate
TL;DR: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate (CAS 701930-47-4) is a chemical compound with molecular formula C19H21N5O6S2 and molecular weight 479.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate, methyl 5-(dimethylcarbamoyl)-4-methyl-2-[({2-[(4-methyl-3-nitrophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]thiophene-3-carboxylate, methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate, methyl 5-(N,N-dimethylcarbamoyl)-4-methyl-2-[({[(4-methyl-3-nitrophenyl)carbon ylamino]amino}thioxomethyl)amino]thiophene-3-carboxylate
| Molecular Formula | C19H21N5O6S2 |
|---|---|
| Molecular Weight | 479.09 g/mol |
| LogP | 2.39294 |
| Topological Polar Surface Area | 142.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.09332 |
| Heavy Atoms | 32 |
| Complexity | 1111.8682 |
Chemical Identifiers
| CAS Number | 701930-47-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC)[N+](=O)[O-] |
Product Overview
methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate (CAS 701930-47-4), with molecular formula C19H21N5O6S2 and molecular weight 479.09 g/mol. IUPAC: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate
Property Insights of methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate
The XLogP value of 2.39294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate. The TPSA of 142.91 Ų indicates high polarity, suggesting methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate has 3 hydrogen bond donor(s) and 8 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 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate?
The CAS number of methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate is 701930-47-4.
What is the molecular formula of methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate?
The molecular formula of methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate is C19H21N5O6S2.
What is the molecular weight of methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate?
The molecular weight of methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate is 479.09 g/mol.
Where can I buy methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate?
You can request a quote for methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-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-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-(4-methyl-3-nitrobenzoyl)hydrazinecarbothioamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.