ChemDiv3_005623
TL;DR: ChemDiv3_005623 (CAS 694465-75-3) is a chemical compound with molecular formula C26H22N4O2S2 and molecular weight 486.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide
Also Known As: ChemDiv3_005623, IDI1_023533, BRD-K65551358-001-01-5, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl]acetamide
| Molecular Formula | C26H22N4O2S2 |
|---|---|
| Molecular Weight | 486.12 g/mol |
| LogP | 4.92712 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.1184 |
| Heavy Atoms | 34 |
| Complexity | 1556.405 |
Chemical Identifiers
| CAS Number | 694465-75-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CSC4=NC5=CC=CC=C5S4 |
Product Overview
ChemDiv3_005623 (CAS 694465-75-3), with molecular formula C26H22N4O2S2 and molecular weight 486.12 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide.
Chemical Property Profile of ChemDiv3_005623
Property Insights of ChemDiv3_005623
The XLogP value of 4.92712 indicates that ChemDiv3_005623 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005623. Following Lipinski's Rule of Five, ChemDiv3_005623 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 ChemDiv3_005623?
The CAS number of ChemDiv3_005623 is 694465-75-3.
What is the molecular formula of ChemDiv3_005623?
The molecular formula of ChemDiv3_005623 is C26H22N4O2S2.
What is the molecular weight of ChemDiv3_005623?
The molecular weight of ChemDiv3_005623 is 486.12 g/mol.
Where can I buy ChemDiv3_005623?
You can request a quote for ChemDiv3_005623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005623?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.