methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
TL;DR: methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate (CAS 590352-69-5) is a chemical compound with molecular formula C20H19N3O3S3 and molecular weight 445.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate
Also Known As: methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate, methyl 2-[({[(4,5-dimethyl(3-thienyl))carbonylamino]amino}thioxomethyl)amino]- 5-phenylthiophene-3-carboxylate, methyl 2-[({2-[(4,5-dimethylthiophen-3-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-5-phenylthiophene-3-carboxylate, methyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate
| Molecular Formula | C20H19N3O3S3 |
|---|---|
| Molecular Weight | 445.06 g/mol |
| LogP | 4.51144 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.05887 |
| Heavy Atoms | 29 |
| Complexity | 1057.6134 |
Chemical Identifiers
| CAS Number | 590352-69-5 |
|---|---|
| SMILES | CC1=C(SC=C1C(=O)NNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C |
Product Overview
methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate (CAS 590352-69-5), with molecular formula C20H19N3O3S3 and molecular weight 445.06 g/mol. IUPAC: methyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
Property Insights of methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate
The XLogP value of 4.51144 indicates that methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate has 3 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-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The CAS number of methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is 590352-69-5.
What is the molecular formula of methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular formula of methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is C20H19N3O3S3.
What is the molecular weight of methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
The molecular weight of methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate is 445.06 g/mol.
Where can I buy methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
You can request a quote for methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-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-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-(4,5-dimethylthiophene-3-carbonyl)hydrazinecarbothioamido)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.