4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride
TL;DR: 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride (CAS 25313-34-2) is a chemical compound with molecular formula C17H16ClFN2O6S and molecular weight 430.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-chloro-4-nitrophenoxy)butylcarbamoyl]benzenesulfonyl fluoride
Also Known As: starbld0019463, Propionitrile,2-(2-hydroxyethyl)amino-2-methyl, 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride, 4-[4-(2-chloro-4-nitrophenoxy)butylcarbamoyl]benzenesulfonyl fluoride, 4-[4-(2-chloro-4-nitrophenoxy)butylcarbamoyl]benzenesulfonyl
| Molecular Formula | C17H16ClFN2O6S |
|---|---|
| Molecular Weight | 430.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.04016 |
| Heavy Atoms | 28 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 25313-34-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)F |
| InChIKey | BPOAPINUOFFETI-UHFFFAOYSA-N |
Product Overview
4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride (CAS 25313-34-2), with molecular formula C17H16ClFN2O6S and molecular weight 430.04 g/mol. IUPAC: 4-[4-(2-chloro-4-nitrophenoxy)butylcarbamoyl]benzenesulfonyl fluoride.
Chemical Property Profile of 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride
Property Insights of 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride
The XLogP value of 3.8 indicates that 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride has 1 hydrogen bond donor(s) and 7 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-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride?
The CAS number of 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride is 25313-34-2.
What is the molecular formula of 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride?
The molecular formula of 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride is C17H16ClFN2O6S.
What is the molecular weight of 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride?
The molecular weight of 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride is 430.04 g/mol.
Where can I buy 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride?
You can request a quote for 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(2-Chloro-4-nitrophenoxy)butyl)carbamoyl)benzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.