![methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate structure](/static/products/5887/588710-65-0.webp)
methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate
TL;DR: methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate (CAS 588710-65-0) is a chemical compound with molecular formula C19H21N3O6S2 and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate, methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yloxy)propanoyl)hydrazinecarbothioamido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[({2-[2-(1,3-benzodioxol-5-yloxy)propanoyl]hydrazinyl}carbonothioyl)amino]-4,5-dimethylthiophene-3-carboxylate, methyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C19H21N3O6S2 |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 2.66534 |
| Topological Polar Surface Area | 107.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.0872 |
| Heavy Atoms | 30 |
| Complexity | 990.88965 |
Chemical Identifiers
| CAS Number | 588710-65-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C(C)OC2=CC3=C(C=C2)OCO3)C |
Product Overview
methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate (CAS 588710-65-0), with molecular formula C19H21N3O6S2 and molecular weight 451.09 g/mol. IUPAC: methyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate
Property Insights of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 2.66534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate. The TPSA of 107.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-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 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate is 588710-65-0.
What is the molecular formula of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate is C19H21N3O6S2.
What is the molecular weight of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate is 451.09 g/mol.
Where can I buy methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-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-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.