![methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/5886/588679-30-5.webp)
methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 588679-30-5) is a chemical compound with molecular formula C15H17Br2N3O3S2 and molecular weight 508.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[({[(2,2-dibromo-1-methylcyclopropyl)carbonylamino]amino}thioxomethyl )amino]-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylate, methyl 2-[({2-[(2,2-dibromo-1-methylcyclopropyl)carbonyl]hydrazinyl}carbonothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C15H17Br2N3O3S2 |
|---|---|
| Molecular Weight | 508.91 g/mol |
| LogP | 3.2371 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 508.9078 |
| Heavy Atoms | 25 |
| Complexity | 765.4479 |
Chemical Identifiers
| CAS Number | 588679-30-5 |
|---|---|
| SMILES | CC1(CC1(Br)Br)C(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC |
Product Overview
methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 588679-30-5), with molecular formula C15H17Br2N3O3S2 and molecular weight 508.91 g/mol. IUPAC: methyl 2-[[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 3.2371 indicates that methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has 3 hydrogen bond donor(s) and 5 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-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 588679-30-5.
What is the molecular formula of methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C15H17Br2N3O3S2.
What is the molecular weight of methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 508.91 g/mol.
Where can I buy methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)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-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-(2,2-dibromo-1-methylcyclopropanecarbonyl)hydrazinecarbothioamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.