![methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/7019/701953-85-7.webp)
methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 701953-85-7) is a chemical compound with molecular formula C14H14N4O2S2 and molecular weight 334.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyrazin-2-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, Methyl 3-(pyrazin-2-ylthiocarbamoylamino)-4-thiabicyclo[3.3.0]octa-2,9-diene-2-carboxylate, methyl 2-(pyrazin-2-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(pyrazin-2-ylcarbamothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[(pyrazin-2-ylamino)thioxomethyl]amino}-4,5,6-trihydrocyclopenta[2,1 -b]thiophene-3-carboxylate
| Molecular Formula | C14H14N4O2S2 |
|---|---|
| Molecular Weight | 334.06 g/mol |
| LogP | 2.6223 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.05582 |
| Heavy Atoms | 22 |
| Complexity | 715.13293 |
Chemical Identifiers
| CAS Number | 701953-85-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=NC=CN=C3 |
Product Overview
methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 701953-85-7), with molecular formula C14H14N4O2S2 and molecular weight 334.06 g/mol. IUPAC: methyl 2-(pyrazin-2-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 2.6223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. The TPSA of 76.14 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has 2 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-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 701953-85-7.
What is the molecular formula of methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C14H14N4O2S2.
What is the molecular weight of methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 334.06 g/mol.
Where can I buy methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[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-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(pyrazin-2-yl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.