BAS 07456998
TL;DR: BAS 07456998 (CAS 843616-72-8) 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,4-dimethyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Also Known As: BAS 07456998, N-(2-hydroxyethyl)-N,4-dimethyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide, N-(2-hydroxyethyl)-N,4-dimethyl-3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
| 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 | 843616-72-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N(C)CCO)C2=NN=C3N2N=C(C4=CC=CC=C43)C |
Product Overview
BAS 07456998 (CAS 843616-72-8), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: N-(2-hydroxyethyl)-N,4-dimethyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide.
Chemical Property Profile of BAS 07456998
Property Insights of BAS 07456998
The XLogP value of 2.17414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07456998. The TPSA of 100.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07456998. Following Lipinski's Rule of Five, BAS 07456998 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 BAS 07456998?
The CAS number of BAS 07456998 is 843616-72-8.
What is the molecular formula of BAS 07456998?
The molecular formula of BAS 07456998 is C20H21N5O3S.
What is the molecular weight of BAS 07456998?
The molecular weight of BAS 07456998 is 411.14 g/mol.
Where can I buy BAS 07456998?
You can request a quote for BAS 07456998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07456998?
Yes, KEHONG BIO provides custom synthesis services for BAS 07456998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.