2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate
TL;DR: 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate (CAS 1008216-84-9) 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-(butan-2-ylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
Also Known As: 2-(sec-butylamino)-2-oxoethyl 5-bromonicotinate, [(butan-2-yl)carbamoyl]methyl 5-bromopyridine-3-carboxylate, 2-(butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate, [2-(butan-2-ylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate, F6609-1874
| Molecular Formula | C12H15BrN2O3 |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 1.9156 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.0266 |
| Heavy Atoms | 18 |
| Complexity | 437.08563 |
Chemical Identifiers
| CAS Number | 1008216-84-9 |
|---|---|
| SMILES | CCC(C)NC(=O)COC(=O)C1=CC(=CN=C1)Br |
Product Overview
2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate (CAS 1008216-84-9), with molecular formula C12H15BrN2O3 and molecular weight 314.03 g/mol. IUPAC: [2-(butan-2-ylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
Chemical Property Profile of 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate
Property Insights of 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate
The XLogP value of 1.9156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-(Butan-2-ylamino)-2-oxoethyl 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 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate?
The CAS number of 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate is 1008216-84-9.
What is the molecular formula of 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate?
The molecular formula of 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate is C12H15BrN2O3.
What is the molecular weight of 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate?
The molecular weight of 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate is 314.03 g/mol.
Where can I buy 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate?
You can request a quote for 2-(Butan-2-ylamino)-2-oxoethyl 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 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butan-2-ylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.