BAS 13557868
TL;DR: BAS 13557868 (CAS 878439-60-2) is a chemical compound with molecular formula C21H14FN3O3 and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-7-methyl-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 13557868, 5-(4-fluorophenyl)-1-methyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 5-(4-fluorophenyl)-1-methyl-1,3,5,11-tetrahydroindeno[2,3-e]pyrimidino[4,5-b]p yridine-2,4,6-trione, 5-(4-fluorophenyl)-1-methyl-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H,5H,11H)-trione, 5-(4-fluorophenyl)-2,4-dihydroxy-1-methyl-1,5-dihydro-6H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-one
| Molecular Formula | C21H14FN3O3 |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 2.3777 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.10193 |
| Heavy Atoms | 28 |
| Complexity | 1315.9579 |
Chemical Identifiers
| CAS Number | 878439-60-2 |
|---|---|
| SMILES | CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)F)C(=O)NC1=O |
Product Overview
BAS 13557868 (CAS 878439-60-2), with molecular formula C21H14FN3O3 and molecular weight 375.10 g/mol. IUPAC: 2-(4-fluorophenyl)-7-methyl-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 13557868
Property Insights of BAS 13557868
The XLogP value of 2.3777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13557868. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13557868. Following Lipinski's Rule of Five, BAS 13557868 has 2 hydrogen bond donor(s) and 4 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 13557868?
The CAS number of BAS 13557868 is 878439-60-2.
What is the molecular formula of BAS 13557868?
The molecular formula of BAS 13557868 is C21H14FN3O3.
What is the molecular weight of BAS 13557868?
The molecular weight of BAS 13557868 is 375.10 g/mol.
Where can I buy BAS 13557868?
You can request a quote for BAS 13557868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13557868?
Yes, KEHONG BIO provides custom synthesis services for BAS 13557868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.