(Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate
TL;DR: (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate (CAS 878908-86-2) is a chemical compound with molecular formula C12H15BrN2O3 and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(butylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
Also Known As: starbld0006288, 2-(butylamino)-2-oxoethyl 5-bromonicotinate, (butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate, [2-(butylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate, Butylcarbamoylmethyl 5-bromopyridine-3-carboxylate
| Molecular Formula | C12H15BrN2O3 |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 1.9172 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.0266 |
| Heavy Atoms | 18 |
| Complexity | 423.53848 |
Chemical Identifiers
| CAS Number | 878908-86-2 |
|---|---|
| SMILES | CCCCNC(=O)COC(=O)C1=CC(=CN=C1)Br |
Product Overview
(Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate (CAS 878908-86-2), with molecular formula C12H15BrN2O3 and molecular weight 314.03 g/mol. IUPAC: [2-(butylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
Chemical Property Profile of (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate
Property Insights of (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate
The XLogP value of 1.9172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate. Following Lipinski's Rule of Five, (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate has 1 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 (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate?
The CAS number of (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate is 878908-86-2.
What is the molecular formula of (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate?
The molecular formula of (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate is C12H15BrN2O3.
What is the molecular weight of (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate?
The molecular weight of (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate is 314.03 g/mol.
Where can I buy (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate?
You can request a quote for (Butylcarbamoyl)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 (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Butylcarbamoyl)methyl 5-bromopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.