BAS 07457040
TL;DR: BAS 07457040 (CAS 585558-95-8) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: BAS 07457040, 6-methyl-3-(4-methyl-3-(pyrrolidin-1-ylsulfonyl)phenyl)-[1,2,4]triazolo[3,4-a]phthalazine, 6-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine, 6-methyl-3-[4-methyl-3-(pyrrolidin-1-ylsulfonyl)phenyl][1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C21H21N5O2S |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 3.34584 |
| Topological Polar Surface Area | 80.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.1416 |
| Heavy Atoms | 29 |
| Complexity | 1354.5222 |
Chemical Identifiers
| CAS Number | 585558-95-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)S(=O)(=O)N5CCCC5 |
Product Overview
BAS 07457040 (CAS 585558-95-8), with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol. IUPAC: 6-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.
Chemical Property Profile of BAS 07457040
Property Insights of BAS 07457040
The XLogP value of 3.34584 indicates that BAS 07457040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07457040. Following Lipinski's Rule of Five, BAS 07457040 has 0 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 07457040?
The CAS number of BAS 07457040 is 585558-95-8.
What is the molecular formula of BAS 07457040?
The molecular formula of BAS 07457040 is C21H21N5O2S.
What is the molecular weight of BAS 07457040?
The molecular weight of BAS 07457040 is 407.14 g/mol.
Where can I buy BAS 07457040?
You can request a quote for BAS 07457040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07457040?
Yes, KEHONG BIO provides custom synthesis services for BAS 07457040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.