![methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate structure](/static/products/7082/708217-72-5.webp)
methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
TL;DR: methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 708217-72-5) is a chemical compound with molecular formula C28H25N5O6S2 and molecular weight 591.12 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-yl)quinoline-4-carbonyl]amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[({[(2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(4-quinolyl))carbonylamino]a mino}thioxomethyl)amino]-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxy late, methyl 2-[[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-{[(2-{[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}hydrazinyl)carbonothioyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C28H25N5O6S2 |
|---|---|
| Molecular Weight | 591.12 g/mol |
| LogP | 4.12022 |
| Topological Polar Surface Area | 131.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 591.12463 |
| Heavy Atoms | 41 |
| Complexity | 1717.8635 |
Chemical Identifiers
| CAS Number | 708217-72-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)N(C)C |
Product Overview
methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 708217-72-5), with molecular formula C28H25N5O6S2 and molecular weight 591.12 g/mol. IUPAC: methyl 2-[[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Property Insights of methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
The XLogP value of 4.12022 indicates that methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate has 3 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 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The CAS number of methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is 708217-72-5.
What is the molecular formula of methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is C28H25N5O6S2.
What is the molecular weight of methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is 591.12 g/mol.
Where can I buy methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)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-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carbonyl)hydrazinecarbothioamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.