![methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate structure](/static/products/4449/444936-42-9.webp)
methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate
TL;DR: methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate (CAS 444936-42-9) is a chemical compound with molecular formula C17H14Br2ClNO3S and molecular weight 504.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate
Also Known As: methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate, methyl 4-(2-chlorophenyl)-2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-3-thiophenecarboxylate, methyl 4-(2-chlorophenyl)-2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}thiophene-3-carboxylate, methyl 2-[(2,2-dibromo-1-methylcyclopropyl)carbonylamino]-4-(2-chlorophenyl)th iophene-3-carboxylate
| Molecular Formula | C17H14Br2ClNO3S |
|---|---|
| Molecular Weight | 504.87 g/mol |
| LogP | 5.6897 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.87497 |
| Heavy Atoms | 25 |
| Complexity | 867.3279 |
Chemical Identifiers
| CAS Number | 444936-42-9 |
|---|---|
| SMILES | CC1(CC1(Br)Br)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3Cl)C(=O)OC |
Product Overview
methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate (CAS 444936-42-9), with molecular formula C17H14Br2ClNO3S and molecular weight 504.87 g/mol. IUPAC: methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate
Property Insights of methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate
The XLogP value of 5.6897 indicates that methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate?
The CAS number of methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate is 444936-42-9.
What is the molecular formula of methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate?
The molecular formula of methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate is C17H14Br2ClNO3S.
What is the molecular weight of methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate?
The molecular weight of methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate is 504.87 g/mol.
Where can I buy methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate?
You can request a quote for methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]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 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-chlorophenyl)-2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.