ChemDiv2_004989
TL;DR: ChemDiv2_004989 (CAS 577983-09-6) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-hydroxyethyl)-N,2-dimethyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Also Known As: ChemDiv2_004989, CBKinase1_006029, CBKinase1_018429, BAS 07457027, IDI1_003704
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 2.17414 |
| Topological Polar Surface Area | 100.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 1330.9604 |
Chemical Identifiers
| CAS Number | 577983-09-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)S(=O)(=O)N(C)CCO |
Product Overview
ChemDiv2_004989 (CAS 577983-09-6), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: N-(2-hydroxyethyl)-N,2-dimethyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide.
Chemical Property Profile of ChemDiv2_004989
Property Insights of ChemDiv2_004989
The XLogP value of 2.17414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004989. The TPSA of 100.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004989. Following Lipinski's Rule of Five, ChemDiv2_004989 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 ChemDiv2_004989?
The CAS number of ChemDiv2_004989 is 577983-09-6.
What is the molecular formula of ChemDiv2_004989?
The molecular formula of ChemDiv2_004989 is C20H21N5O3S.
What is the molecular weight of ChemDiv2_004989?
The molecular weight of ChemDiv2_004989 is 411.14 g/mol.
Where can I buy ChemDiv2_004989?
You can request a quote for ChemDiv2_004989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004989?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.