BAS 07456996
TL;DR: BAS 07456996 (CAS 701245-92-3) is a chemical compound with molecular formula C21H23N5O2S and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-methyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Also Known As: BAS 07456996, N-tert-butyl-4-methyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide, N-tert-butyl-4-methyl-3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide, N-(tert-butyl)-4-methyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide, N-TERT-BUTYL-4-METHYL-3-{6-METHYL-[1,2,4]TRIAZOLO[3,4-A]PHTHALAZIN-3-YL}BENZENE-1-SULFONAMIDE
| Molecular Formula | C21H23N5O2S |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 3.63814 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.15726 |
| Heavy Atoms | 29 |
| Complexity | 1351.0125 |
Chemical Identifiers
| CAS Number | 701245-92-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C2=NN=C3N2N=C(C4=CC=CC=C43)C |
Product Overview
BAS 07456996 (CAS 701245-92-3), with molecular formula C21H23N5O2S and molecular weight 409.16 g/mol. IUPAC: N-tert-butyl-4-methyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide.
Chemical Property Profile of BAS 07456996
Property Insights of BAS 07456996
The XLogP value of 3.63814 indicates that BAS 07456996 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 BAS 07456996. Following Lipinski's Rule of Five, BAS 07456996 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 BAS 07456996?
The CAS number of BAS 07456996 is 701245-92-3.
What is the molecular formula of BAS 07456996?
The molecular formula of BAS 07456996 is C21H23N5O2S.
What is the molecular weight of BAS 07456996?
The molecular weight of BAS 07456996 is 409.16 g/mol.
Where can I buy BAS 07456996?
You can request a quote for BAS 07456996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07456996?
Yes, KEHONG BIO provides custom synthesis services for BAS 07456996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.