N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
TL;DR: N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide (CAS 694467-16-8) is a chemical compound with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N,2-dimethyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide
Also Known As: ChemDiv2_001440, A3397/0144108, N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide, N-BUTYL-N,2-DIMETHYL-5-(4-OXO-3,4-DIHYDRO-1-PHTHALAZINYL)BENZENESULFONAMIDE, N-butyl-N,2-dimethyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide
| Molecular Formula | C20H23N3O3S |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 3.31912 |
| Topological Polar Surface Area | 83.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.14603 |
| Heavy Atoms | 27 |
| Complexity | 1136.6622 |
Chemical Identifiers
| CAS Number | 694467-16-8 |
|---|---|
| SMILES | CCCCN(C)S(=O)(=O)C1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)C |
Product Overview
N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide (CAS 694467-16-8), with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol. IUPAC: N-butyl-N,2-dimethyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide.
Chemical Property Profile of N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
Property Insights of N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
The XLogP value of 3.31912 indicates that N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide. Following Lipinski's Rule of Five, N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide has 1 hydrogen bond donor(s) and 4 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 N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide?
The CAS number of N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide is 694467-16-8.
What is the molecular formula of N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide?
The molecular formula of N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide is C20H23N3O3S.
What is the molecular weight of N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide?
The molecular weight of N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide is 385.15 g/mol.
Where can I buy N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide?
You can request a quote for N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N,2-dimethyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.