BAS 13557832
TL;DR: BAS 13557832 (CAS 878439-02-2) is a chemical compound with molecular formula C23H18FN3O4 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-7-(2-methoxyethyl)-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 13557832, 5-(4-fluorophenyl)-1-(2-methoxyethyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 5-(4-fluorophenyl)-1-(2-methoxyethyl)-1,3,5,11-tetrahydroindeno[2,3-e]pyrimidi no[4,5-b]pyridine-2,4,6-trione, 5-(4-fluorophenyl)-1-(2-methoxyethyl)-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-(2-methoxyethyl)-1,5-dihydro-6H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-one
| Molecular Formula | C23H18FN3O4 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 2.4871 |
| Topological Polar Surface Area | 93.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.12814 |
| Heavy Atoms | 31 |
| Complexity | 1368.8043 |
Chemical Identifiers
| CAS Number | 878439-02-2 |
|---|---|
| SMILES | COCCN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)F)C(=O)NC1=O |
Product Overview
BAS 13557832 (CAS 878439-02-2), with molecular formula C23H18FN3O4 and molecular weight 419.13 g/mol. IUPAC: 2-(4-fluorophenyl)-7-(2-methoxyethyl)-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 13557832
Property Insights of BAS 13557832
The XLogP value of 2.4871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13557832. The TPSA of 93.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13557832. Following Lipinski's Rule of Five, BAS 13557832 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 13557832?
The CAS number of BAS 13557832 is 878439-02-2.
What is the molecular formula of BAS 13557832?
The molecular formula of BAS 13557832 is C23H18FN3O4.
What is the molecular weight of BAS 13557832?
The molecular weight of BAS 13557832 is 419.13 g/mol.
Where can I buy BAS 13557832?
You can request a quote for BAS 13557832 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13557832?
Yes, KEHONG BIO provides custom synthesis services for BAS 13557832 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.