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[Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate
TL;DR: [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate (CAS 457610-84-3) is a chemical compound with molecular formula C15H19BrN2O3 and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
Also Known As: starbld0006356, 2-(cyclohexyl(methyl)amino)-2-oxoethyl 5-bromonicotinate, AB00948177-05, [cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate, F6609-1867
| Molecular Formula | C15H19BrN2O3 |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 2.792 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.05792 |
| Heavy Atoms | 21 |
| Complexity | 515.39514 |
Chemical Identifiers
| CAS Number | 457610-84-3 |
|---|---|
| SMILES | CN(C1CCCCC1)C(=O)COC(=O)C2=CC(=CN=C2)Br |
Product Overview
[Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate (CAS 457610-84-3), with molecular formula C15H19BrN2O3 and molecular weight 354.06 g/mol. IUPAC: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate.
Chemical Property Profile of [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate
Property Insights of [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate
The XLogP value of 2.792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate. With a topological polar surface area (TPSA) of 59.5 Ų, [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate?
The CAS number of [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate is 457610-84-3.
What is the molecular formula of [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate?
The molecular formula of [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate is C15H19BrN2O3.
What is the molecular weight of [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate?
The molecular weight of [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate is 354.06 g/mol.
Where can I buy [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate?
You can request a quote for [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.