![methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate structure](/static/products/5886/588680-84-6.webp)
methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate
TL;DR: methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate (CAS 588680-84-6) is a chemical compound with molecular formula C17H17N3O5S2 and molecular weight 407.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5-ethylthiophene-3-carboxylate
Also Known As: methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate, methyl 2-({[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-5-ethylthiophene-3-carboxylate, methyl 2-(2-(benzo[d][1,3]dioxole-5-carbonyl)hydrazinecarbothioamido)-5-ethylthiophene-3-carboxylate, methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5-ethylthiophene-3-carboxylate, Methyl 2-[(benzo[1,3]dioxole-5-carbonylamino)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylate
| Molecular Formula | C17H17N3O5S2 |
|---|---|
| Molecular Weight | 407.06 g/mol |
| LogP | 2.4572 |
| Topological Polar Surface Area | 97.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.06097 |
| Heavy Atoms | 27 |
| Complexity | 896.6892 |
Chemical Identifiers
| CAS Number | 588680-84-6 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC |
Product Overview
methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate (CAS 588680-84-6), with molecular formula C17H17N3O5S2 and molecular weight 407.06 g/mol. IUPAC: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5-ethylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate
Property Insights of methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate
The XLogP value of 2.4572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate. The TPSA of 97.92 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate has 3 hydrogen bond donor(s) and 7 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-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate?
The CAS number of methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate is 588680-84-6.
What is the molecular formula of methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate?
The molecular formula of methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate is C17H17N3O5S2.
What is the molecular weight of methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate?
The molecular weight of methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate is 407.06 g/mol.
Where can I buy methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate?
You can request a quote for methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-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-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)amino]thioxomethyl} amino)-5-ethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.