5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide
TL;DR: 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide (CAS 109103-01-7) is a chemical compound with molecular formula C14H13ClN2O5S and molecular weight 356.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxy-4-nitrophenyl)-4-methylbenzenesulfonamide
Also Known As: 5'-CHLORO-4'-NITRO-P-TOLUENESULFON-O-ANISIDIDE, N-(5-chloro-2-methoxy-4-nitrophenyl)-4-methylbenzene-1-sulfonamide, N-(5-chloro-2-methoxy-4-nitrophenyl)-4-methylbenzenesulfonamide, 653-524-2, RefChem:527482
| Molecular Formula | C14H13ClN2O5S |
|---|---|
| Molecular Weight | 356.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.02338 |
| Heavy Atoms | 23 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 109103-01-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])Cl |
| InChIKey | BKQPCLFPOKGRLL-UHFFFAOYSA-N |
Product Overview
5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide (CAS 109103-01-7), with molecular formula C14H13ClN2O5S and molecular weight 356.02 g/mol. IUPAC: N-(5-chloro-2-methoxy-4-nitrophenyl)-4-methylbenzenesulfonamide.
Chemical Property Profile of 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide
Property Insights of 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide
The XLogP value of 3.2 indicates that 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide. Following Lipinski's Rule of Five, 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide has 1 hydrogen bond donor(s) and 6 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 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide?
The CAS number of 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide is 109103-01-7.
What is the molecular formula of 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide?
The molecular formula of 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide is C14H13ClN2O5S.
What is the molecular weight of 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide?
The molecular weight of 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide is 356.02 g/mol.
Where can I buy 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide?
You can request a quote for 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide?
Yes, KEHONG BIO provides custom synthesis services for 5'-Chloro-4'-nitro-P-toluenesulfon-O-anisidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.