BAS 13557881
TL;DR: BAS 13557881 (CAS 878439-75-9) is a chemical compound with molecular formula C23H17N3O5 and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-ethyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaen-2-yl)benzoic acid
Also Known As: BAS 13557881, 4-(1-ethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)benzoic acid, AB01292366-01, 4-(1-ethyl-2,4,6-trioxo-1,3,5,11-tetrahydroindeno[2,3-e]pyrimidino[4,5-b]pyrid in-5-yl)benzoic acid, 4-(1-ethyl-2,4-dihydroxy-6-oxo-5,6-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)benzoic acid
| Molecular Formula | C23H17N3O5 |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 2.4197 |
| Topological Polar Surface Area | 121.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.11682 |
| Heavy Atoms | 31 |
| Complexity | 1426.8014 |
Chemical Identifiers
| CAS Number | 878439-75-9 |
|---|---|
| SMILES | CCN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(=O)O)C(=O)NC1=O |
Product Overview
BAS 13557881 (CAS 878439-75-9), with molecular formula C23H17N3O5 and molecular weight 415.12 g/mol. IUPAC: 4-(7-ethyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaen-2-yl)benzoic acid.
Chemical Property Profile of BAS 13557881
Property Insights of BAS 13557881
The XLogP value of 2.4197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13557881. The TPSA of 121.26 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13557881. Following Lipinski's Rule of Five, BAS 13557881 has 3 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 13557881?
The CAS number of BAS 13557881 is 878439-75-9.
What is the molecular formula of BAS 13557881?
The molecular formula of BAS 13557881 is C23H17N3O5.
What is the molecular weight of BAS 13557881?
The molecular weight of BAS 13557881 is 415.12 g/mol.
Where can I buy BAS 13557881?
You can request a quote for BAS 13557881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13557881?
Yes, KEHONG BIO provides custom synthesis services for BAS 13557881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.