methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
TL;DR: methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 708245-33-4) is a chemical compound with molecular formula C19H20ClFN4O4S2 and molecular weight 486.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[({2-[(2-chloro-6-fluorophenyl)acetyl]hydrazinyl}carbonothioyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 5-(N,N-dimethylcarbamoyl)-2-[({[2-(2-chloro-6-fluorophenyl)acetylamino] amino}thioxomethyl)amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C19H20ClFN4O4S2 |
|---|---|
| Molecular Weight | 486.06 g/mol |
| LogP | 2.89772 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.05984 |
| Heavy Atoms | 31 |
| Complexity | 1021.9054 |
Chemical Identifiers
| CAS Number | 708245-33-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)CC2=C(C=CC=C2Cl)F)C(=O)N(C)C |
Product Overview
methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 708245-33-4), with molecular formula C19H20ClFN4O4S2 and molecular weight 486.06 g/mol. IUPAC: methyl 2-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Property Insights of methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
The XLogP value of 2.89772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-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-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The CAS number of methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is 708245-33-4.
What is the molecular formula of methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is C19H20ClFN4O4S2.
What is the molecular weight of methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is 486.06 g/mol.
Where can I buy methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-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-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-(2-(2-chloro-6-fluorophenyl)acetyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.