![methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate structure](/static/products/5225/522594-98-5.webp)
methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate
TL;DR: methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate (CAS 522594-98-5) is a chemical compound with molecular formula C29H22BrN3O3S and molecular weight 571.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-pyridin-3-ylthiophene-3-carboxylate
Also Known As: methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate, methyl 2-(6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxamido)-4-(pyridin-3-yl)thiophene-3-carboxylate, methyl 2-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-pyridin-3-ylthiophene-3-carboxylate, methyl 2-{[2-(3,4-dimethylphenyl)-6-bromo(4-quinolyl)]carbonylamino}-4-(3-pyri dyl)thiophene-3-carboxylate
| Molecular Formula | C29H22BrN3O3S |
|---|---|
| Molecular Weight | 571.06 g/mol |
| LogP | 7.44354 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 571.0565 |
| Heavy Atoms | 37 |
| Complexity | 1664.6552 |
Chemical Identifiers
| CAS Number | 522594-98-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C(=CS4)C5=CN=CC=C5)C(=O)OC)C |
Product Overview
methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate (CAS 522594-98-5), with molecular formula C29H22BrN3O3S and molecular weight 571.06 g/mol. IUPAC: methyl 2-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-pyridin-3-ylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate
Property Insights of methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate
The XLogP value of 7.44354 indicates that methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate?
The CAS number of methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate is 522594-98-5.
What is the molecular formula of methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate?
The molecular formula of methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate is C29H22BrN3O3S.
What is the molecular weight of methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate?
The molecular weight of methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate is 571.06 g/mol.
Where can I buy methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate?
You can request a quote for methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)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-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.