![methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate structure](/static/products/4449/444936-49-6.webp)
methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
TL;DR: methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate (CAS 444936-49-6) is a chemical compound with molecular formula C20H20Br2N2O4S and molecular weight 541.95 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]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate, methyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate, methyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate, methyl 2-[(2,2-dibromo-1-methylcyclopropyl)carbonylamino]-4-methyl-5-[N-(2-met hylphenyl)carbamoyl]thiophene-3-carboxylate
| Molecular Formula | C20H20Br2N2O4S |
|---|---|
| Molecular Weight | 541.95 g/mol |
| LogP | 5.23844 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.95105 |
| Heavy Atoms | 29 |
| Complexity | 1017.9053 |
Chemical Identifiers
| CAS Number | 444936-49-6 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3(CC3(Br)Br)C)C(=O)OC)C |
Product Overview
methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate (CAS 444936-49-6), with molecular formula C20H20Br2N2O4S and molecular weight 541.95 g/mol. IUPAC: methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Property Insights of methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
The XLogP value of 5.23844 indicates that methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate has 2 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-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The CAS number of methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is 444936-49-6.
What is the molecular formula of methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The molecular formula of methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is C20H20Br2N2O4S.
What is the molecular weight of methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The molecular weight of methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is 541.95 g/mol.
Where can I buy methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
You can request a quote for methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]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-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.