4-(4-Nitrophenyl)butyryl chloride
TL;DR: 4-(4-Nitrophenyl)butyryl chloride (CAS 5600-63-5) is a chemical compound with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)butanoyl chloride
Also Known As: 4- butyrylchloride, 4-(4-Nitrophenyl)butyryl chloride, 4-(4-nitrophenyl)butanoyl chloride, Benzenebutanoylchloride,4-nitro, 4-p-nitrophenylbutyryl chloride
| Molecular Formula | C10H10ClNO3 |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.03493 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 5600-63-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCC(=O)Cl)[N+](=O)[O-] |
| InChIKey | LQGNQUFFXKOHBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Nitrophenyl)butyryl chloride (CAS 5600-63-5), with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol. IUPAC: 4-(4-nitrophenyl)butanoyl chloride.
Chemical Property Profile of 4-(4-Nitrophenyl)butyryl chloride
Property Insights of 4-(4-Nitrophenyl)butyryl chloride
The XLogP value of 3.2 indicates that 4-(4-Nitrophenyl)butyryl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitrophenyl)butyryl chloride. Following Lipinski's Rule of Five, 4-(4-Nitrophenyl)butyryl chloride has 0 hydrogen bond donor(s) and 3 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-Nitrophenyl)butyryl chloride?
The CAS number of 4-(4-Nitrophenyl)butyryl chloride is 5600-63-5.
What is the molecular formula of 4-(4-Nitrophenyl)butyryl chloride?
The molecular formula of 4-(4-Nitrophenyl)butyryl chloride is C10H10ClNO3.
What is the molecular weight of 4-(4-Nitrophenyl)butyryl chloride?
The molecular weight of 4-(4-Nitrophenyl)butyryl chloride is 227.03 g/mol.
Where can I buy 4-(4-Nitrophenyl)butyryl chloride?
You can request a quote for 4-(4-Nitrophenyl)butyryl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Nitrophenyl)butyryl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Nitrophenyl)butyryl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.