ChemDiv2_004945
TL;DR: ChemDiv2_004945 (CAS 587010-93-3) is a chemical compound with molecular formula C20H21N5O2S and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-propan-2-ylbenzenesulfonamide
Also Known As: ChemDiv2_004945, BAS 07457022, IDI1_003660, N-isopropyl-2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide, 2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-propan-2-ylbenzenesulfonamide
| Molecular Formula | C20H21N5O2S |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 3.24804 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.1416 |
| Heavy Atoms | 28 |
| Complexity | 1309.178 |
Chemical Identifiers
| CAS Number | 587010-93-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)S(=O)(=O)NC(C)C |
Product Overview
ChemDiv2_004945 (CAS 587010-93-3), with molecular formula C20H21N5O2S and molecular weight 395.14 g/mol. IUPAC: 2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-propan-2-ylbenzenesulfonamide.
Chemical Property Profile of ChemDiv2_004945
Property Insights of ChemDiv2_004945
The XLogP value of 3.24804 indicates that ChemDiv2_004945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004945. Following Lipinski's Rule of Five, ChemDiv2_004945 has 1 hydrogen bond donor(s) and 5 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 ChemDiv2_004945?
The CAS number of ChemDiv2_004945 is 587010-93-3.
What is the molecular formula of ChemDiv2_004945?
The molecular formula of ChemDiv2_004945 is C20H21N5O2S.
What is the molecular weight of ChemDiv2_004945?
The molecular weight of ChemDiv2_004945 is 395.14 g/mol.
Where can I buy ChemDiv2_004945?
You can request a quote for ChemDiv2_004945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004945?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.