ChemDiv3_006997
TL;DR: ChemDiv3_006997 (CAS 573931-85-8) is a chemical compound with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Also Known As: ChemDiv3_006997, CBKinase1_005964, CBKinase1_018364, BAS 07457049, IDI1_024907
| Molecular Formula | C21H23N5O3S |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 3.33832 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.15216 |
| Heavy Atoms | 30 |
| Complexity | 1370.9275 |
Chemical Identifiers
| CAS Number | 573931-85-8 |
|---|---|
| SMILES | CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=C(C=C4)OC)S(=O)(=O)NC(C)(C)C |
Product Overview
ChemDiv3_006997 (CAS 573931-85-8), with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol. IUPAC: N-tert-butyl-2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide.
Chemical Property Profile of ChemDiv3_006997
Property Insights of ChemDiv3_006997
The XLogP value of 3.33832 indicates that ChemDiv3_006997 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006997. Following Lipinski's Rule of Five, ChemDiv3_006997 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_006997?
The CAS number of ChemDiv3_006997 is 573931-85-8.
What is the molecular formula of ChemDiv3_006997?
The molecular formula of ChemDiv3_006997 is C21H23N5O3S.
What is the molecular weight of ChemDiv3_006997?
The molecular weight of ChemDiv3_006997 is 425.15 g/mol.
Where can I buy ChemDiv3_006997?
You can request a quote for ChemDiv3_006997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006997?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.