KP4PK5AQ6X
TL;DR: KP4PK5AQ6X (CAS 37029-01-9) is a chemical compound with molecular formula C21H15N3O6S and molecular weight 437.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2-(6-nitro-4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
Also Known As: N-(2-(6-(Hydroxy(oxido)amino)-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl)-4-methylbenzenesulfonamide, 4-[(4-methylphenyl)sulfonylamino]benzoic acid, 4-methyl-N-[2-(6-nitro-4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide, 4-methyl-N-[2-(6-nitro-4-oxo-3,1-benzoxazin-2-yl)phenyl]benz, 4-methyl-N-[2-(6-nitro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzene-1-sulfonamide
| Molecular Formula | C21H15N3O6S |
|---|---|
| Molecular Weight | 437.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.06815 |
| Heavy Atoms | 31 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 37029-01-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O3 |
| InChIKey | PYLYZXBDFSKPBD-UHFFFAOYSA-N |
Product Overview
KP4PK5AQ6X (CAS 37029-01-9), with molecular formula C21H15N3O6S and molecular weight 437.07 g/mol. IUPAC: 4-methyl-N-[2-(6-nitro-4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide.
Chemical Property Profile of KP4PK5AQ6X
Property Insights of KP4PK5AQ6X
The XLogP value of 3.6 indicates that KP4PK5AQ6X is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KP4PK5AQ6X. Following Lipinski's Rule of Five, KP4PK5AQ6X has 1 hydrogen bond donor(s) and 8 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 KP4PK5AQ6X?
The CAS number of KP4PK5AQ6X is 37029-01-9.
What is the molecular formula of KP4PK5AQ6X?
The molecular formula of KP4PK5AQ6X is C21H15N3O6S.
What is the molecular weight of KP4PK5AQ6X?
The molecular weight of KP4PK5AQ6X is 437.07 g/mol.
Where can I buy KP4PK5AQ6X?
You can request a quote for KP4PK5AQ6X directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KP4PK5AQ6X?
Yes, KEHONG BIO provides custom synthesis services for KP4PK5AQ6X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.