BAS 07457002
TL;DR: BAS 07457002 (CAS 840484-14-2) is a chemical compound with molecular formula C22H24N6O2S and molecular weight 436.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-[2-methyl-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: BAS 07457002, 6-methyl-3-(2-methyl-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-[1,2,4]triazolo[3,4-a]phthalazine, 6-methyl-3-[2-methyl-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[3,4-a]phthalazine, 6-methyl-3-{2-methyl-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}[1,2,4]triazolo[3,4-a]phthalazine, REGID_for_CID_662308
| Molecular Formula | C22H24N6O2S |
|---|---|
| Molecular Weight | 436.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.16815 |
| Heavy Atoms | 31 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 840484-14-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NN=C4N3N=C(C5=CC=CC=C54)C |
| InChIKey | OHEFTZDADRLJMA-UHFFFAOYSA-N |
Product Overview
BAS 07457002 (CAS 840484-14-2), with molecular formula C22H24N6O2S and molecular weight 436.17 g/mol. IUPAC: 6-methyl-3-[2-methyl-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-[1,2,4]triazolo[3,4-a]phthalazine.
Chemical Property Profile of BAS 07457002
Property Insights of BAS 07457002
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07457002. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07457002. Following Lipinski's Rule of Five, BAS 07457002 has 0 hydrogen bond donor(s) and 7 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 07457002?
The CAS number of BAS 07457002 is 840484-14-2.
What is the molecular formula of BAS 07457002?
The molecular formula of BAS 07457002 is C22H24N6O2S.
What is the molecular weight of BAS 07457002?
The molecular weight of BAS 07457002 is 436.17 g/mol.
Where can I buy BAS 07457002?
You can request a quote for BAS 07457002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07457002?
Yes, KEHONG BIO provides custom synthesis services for BAS 07457002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.