BAS 13557818
TL;DR: BAS 13557818 (CAS 878438-90-5) is a chemical compound with molecular formula C22H17N3O3S and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-(4-methylsulfanylphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
Also Known As: BAS 13557818, 1-methyl-5-[4-(methylsulfanyl)phenyl]-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1-methyl-5-(4-(methylthio)phenyl)-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H,5H,11H)-trione, 1-methyl-5-(4-methylthiophenyl)-1,3,5,11-tetrahydroindeno[2,3-e]pyrimidino[4,5 -b]pyridine-2,4,6-trione, 2,4-dihydroxy-1-methyl-5-[4-(methylsulfanyl)phenyl]-1,5-dihydro-6H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-one
| Molecular Formula | C22H17N3O3S |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 2.9605 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.09906 |
| Heavy Atoms | 29 |
| Complexity | 1332.6438 |
Chemical Identifiers
| CAS Number | 878438-90-5 |
|---|---|
| SMILES | CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)SC)C(=O)NC1=O |
Product Overview
BAS 13557818 (CAS 878438-90-5), with molecular formula C22H17N3O3S and molecular weight 403.10 g/mol. IUPAC: 7-methyl-2-(4-methylsulfanylphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione.
Chemical Property Profile of BAS 13557818
Property Insights of BAS 13557818
The XLogP value of 2.9605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13557818. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13557818. Following Lipinski's Rule of Five, BAS 13557818 has 2 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 13557818?
The CAS number of BAS 13557818 is 878438-90-5.
What is the molecular formula of BAS 13557818?
The molecular formula of BAS 13557818 is C22H17N3O3S.
What is the molecular weight of BAS 13557818?
The molecular weight of BAS 13557818 is 403.10 g/mol.
Where can I buy BAS 13557818?
You can request a quote for BAS 13557818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13557818?
Yes, KEHONG BIO provides custom synthesis services for BAS 13557818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.