N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide
TL;DR: N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide (CAS 697239-43-3) is a chemical compound with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide
Also Known As: CBKinase1_010102, CBKinase1_022502, BRD-K04211740-001-01-7, A3634/0154170, N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide
| Molecular Formula | C18H16N4O3S |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 3.88564 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.0943 |
| Heavy Atoms | 26 |
| Complexity | 1001.6428 |
Chemical Identifiers
| CAS Number | 697239-43-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=CC3=CC=CC=C32)C |
Product Overview
N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide (CAS 697239-43-3), with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol. IUPAC: N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide.
Chemical Property Profile of N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide
Property Insights of N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide
The XLogP value of 3.88564 indicates that N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide. Following Lipinski's Rule of Five, N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide 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 N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide?
The CAS number of N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide is 697239-43-3.
What is the molecular formula of N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide?
The molecular formula of N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide is C18H16N4O3S.
What is the molecular weight of N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide?
The molecular weight of N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide is 368.09 g/mol.
Where can I buy N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide?
You can request a quote for N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-dimethyl-6-nitrophenyl)-2-phthalazin-1-ylsulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.