![methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/5886/588679-05-4.webp)
methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 588679-05-4) is a chemical compound with molecular formula C19H22N4O3S2 and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[[4-(dimethylamino)benzoyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[[4-(dimethylamino)benzoyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[({[4-(dimethylamino)phenyl]carbonylamino}amino)thioxomethyl]amino}- 4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylate, methyl 2-{[(2-{[4-(dimethylamino)phenyl]carbonyl}hydrazinyl)carbonothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C19H22N4O3S2 |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 2.7208 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.11334 |
| Heavy Atoms | 28 |
| Complexity | 906.6477 |
Chemical Identifiers
| CAS Number | 588679-05-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC |
Product Overview
methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 588679-05-4), with molecular formula C19H22N4O3S2 and molecular weight 418.11 g/mol. IUPAC: methyl 2-[[[4-(dimethylamino)benzoyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 2.7208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[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-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 588679-05-4.
What is the molecular formula of methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C19H22N4O3S2.
What is the molecular weight of methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 418.11 g/mol.
Where can I buy methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-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-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-(4-(dimethylamino)benzoyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.