4-(Butoxycarbonyl)phenyl 5-bromonicotinate
TL;DR: 4-(Butoxycarbonyl)phenyl 5-bromonicotinate (CAS 313555-23-6) is a chemical compound with molecular formula C17H16BrNO4 and molecular weight 377.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butoxycarbonylphenyl) 5-bromopyridine-3-carboxylate
Also Known As: 4-(butoxycarbonyl)phenyl 5-bromonicotinate, p-butoxycarbonylphenyl 5-bromonicotinate, 4-(butoxycarbonyl)phenyl 5-bromopyridine-3-carboxylate, (4-butoxycarbonylphenyl) 5-bromopyridine-3-carboxylate, F0405-0528
| Molecular Formula | C17H16BrNO4 |
|---|---|
| Molecular Weight | 377.03 g/mol |
| LogP | 4.0202 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.02628 |
| Heavy Atoms | 23 |
| Complexity | 685.2477 |
Chemical Identifiers
| CAS Number | 313555-23-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br |
Product Overview
4-(Butoxycarbonyl)phenyl 5-bromonicotinate (CAS 313555-23-6), with molecular formula C17H16BrNO4 and molecular weight 377.03 g/mol. IUPAC: (4-butoxycarbonylphenyl) 5-bromopyridine-3-carboxylate.
Chemical Property Profile of 4-(Butoxycarbonyl)phenyl 5-bromonicotinate
Property Insights of 4-(Butoxycarbonyl)phenyl 5-bromonicotinate
The XLogP value of 4.0202 indicates that 4-(Butoxycarbonyl)phenyl 5-bromonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Butoxycarbonyl)phenyl 5-bromonicotinate. Following Lipinski's Rule of Five, 4-(Butoxycarbonyl)phenyl 5-bromonicotinate has 0 hydrogen bond donor(s) and 5 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 4-(Butoxycarbonyl)phenyl 5-bromonicotinate?
The CAS number of 4-(Butoxycarbonyl)phenyl 5-bromonicotinate is 313555-23-6.
What is the molecular formula of 4-(Butoxycarbonyl)phenyl 5-bromonicotinate?
The molecular formula of 4-(Butoxycarbonyl)phenyl 5-bromonicotinate is C17H16BrNO4.
What is the molecular weight of 4-(Butoxycarbonyl)phenyl 5-bromonicotinate?
The molecular weight of 4-(Butoxycarbonyl)phenyl 5-bromonicotinate is 377.03 g/mol.
Where can I buy 4-(Butoxycarbonyl)phenyl 5-bromonicotinate?
You can request a quote for 4-(Butoxycarbonyl)phenyl 5-bromonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Butoxycarbonyl)phenyl 5-bromonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Butoxycarbonyl)phenyl 5-bromonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.