4-(2-Nitrophenyl)butanoyl chloride
TL;DR: 4-(2-Nitrophenyl)butanoyl chloride (CAS 630105-96-3) 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-(2-nitrophenyl)butanoyl chloride
Also Known As: 4-(2-nitrophenyl)butanoyl Chloride, 4-(2-nitrophenyl)-n-butyric acid chloride
| Molecular Formula | C10H10ClNO3 |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 2.6829 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.03493 |
| Heavy Atoms | 15 |
| Complexity | 378.68518 |
Chemical Identifiers
| CAS Number | 630105-96-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCCC(=O)Cl)[N+](=O)[O-] |
Product Overview
4-(2-Nitrophenyl)butanoyl chloride (CAS 630105-96-3), with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol. IUPAC: 4-(2-nitrophenyl)butanoyl chloride.
Chemical Property Profile of 4-(2-Nitrophenyl)butanoyl chloride
Property Insights of 4-(2-Nitrophenyl)butanoyl chloride
The XLogP value of 2.6829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Nitrophenyl)butanoyl chloride. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Nitrophenyl)butanoyl chloride. Following Lipinski's Rule of Five, 4-(2-Nitrophenyl)butanoyl 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-(2-Nitrophenyl)butanoyl chloride?
The CAS number of 4-(2-Nitrophenyl)butanoyl chloride is 630105-96-3.
What is the molecular formula of 4-(2-Nitrophenyl)butanoyl chloride?
The molecular formula of 4-(2-Nitrophenyl)butanoyl chloride is C10H10ClNO3.
What is the molecular weight of 4-(2-Nitrophenyl)butanoyl chloride?
The molecular weight of 4-(2-Nitrophenyl)butanoyl chloride is 227.03 g/mol.
Where can I buy 4-(2-Nitrophenyl)butanoyl chloride?
You can request a quote for 4-(2-Nitrophenyl)butanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Nitrophenyl)butanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Nitrophenyl)butanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.