![methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate structure](/static/products/5886/588679-07-6.webp)
methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate
TL;DR: methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate (CAS 588679-07-6) is a chemical compound with molecular formula C15H15N3O4S2 and molecular weight 365.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate, methyl 2-({[2-(furan-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(2-(furan-2-carbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C15H15N3O4S2 |
|---|---|
| Molecular Weight | 365.05 g/mol |
| LogP | 2.2478 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.05038 |
| Heavy Atoms | 24 |
| Complexity | 782.99445 |
Chemical Identifiers
| CAS Number | 588679-07-6 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)C3=CC=CO3 |
Product Overview
methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate (CAS 588679-07-6), with molecular formula C15H15N3O4S2 and molecular weight 365.05 g/mol. IUPAC: methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate
Property Insights of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate
The XLogP value of 2.2478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-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-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate?
The CAS number of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate is 588679-07-6.
What is the molecular formula of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate?
The molecular formula of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate is C15H15N3O4S2.
What is the molecular weight of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate?
The molecular weight of methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate is 365.05 g/mol.
Where can I buy methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate?
You can request a quote for methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-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-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(2-furylcarbonylamino)amino]thioxomethyl}amino)-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.