![[4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate structure](/static/products/5560/556014-90-5.webp)
[4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate
TL;DR: [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate (CAS 556014-90-5) is a chemical compound with molecular formula C16H13BrClNO3 and molecular weight 380.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate
Also Known As: [4-(4-bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate|4-(4-bromophenyl)-4-oxobutyl 2-chloropyridine-3-carboxylate|MLS002245225|SMR001308880|EN300-26587932
| Molecular Formula | C16H13BrClNO3 |
|---|---|
| Molecular Weight | 380.98 g/mol |
| LogP | 4.3174 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.9767 |
| Heavy Atoms | 22 |
| Complexity | 673.34607 |
Chemical Identifiers
| CAS Number | 556014-90-5 |
|---|---|
| SMILES | C1=CC(=C(N=C1)Cl)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br |
Product Overview
[4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate (CAS 556014-90-5), with molecular formula C16H13BrClNO3 and molecular weight 380.98 g/mol. IUPAC: [4-(4-bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate
Property Insights of [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate
The XLogP value of 4.3174 indicates that [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-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 [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate?
The CAS number of [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate is 556014-90-5.
What is the molecular formula of [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate?
The molecular formula of [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate is C16H13BrClNO3.
What is the molecular weight of [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate?
The molecular weight of [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate is 380.98 g/mol.
Where can I buy [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate?
You can request a quote for [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [4-(4-Bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.