BAS 11402969
TL;DR: BAS 11402969 (CAS 876894-16-5) is a chemical compound with molecular formula C22H20N2O3 and molecular weight 360.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-hydroxy-2-oxo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-1-yl]butanenitrile
Also Known As: BAS 11402969, 4-[3-hydroxy-2-oxo-3-(1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)-2,3-dihydro-1H-indol-1-yl]butanenitrile, 4-[3-hydroxy-2-oxo-3-(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indol-1-yl]butanenitrile, 4-[3-hydroxy-2-oxo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-1-yl]butanenitrile, 4-(3-hydroxy-2-oxo-3-(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)indolin-1-yl)butanenitrile
| Molecular Formula | C22H20N2O3 |
|---|---|
| Molecular Weight | 360.15 g/mol |
| LogP | 2.96988 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.1474 |
| Heavy Atoms | 27 |
| Complexity | 962.0254 |
Chemical Identifiers
| CAS Number | 876894-16-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C(=O)C1C3(C4=CC=CC=C4N(C3=O)CCCC#N)O |
Product Overview
BAS 11402969 (CAS 876894-16-5), with molecular formula C22H20N2O3 and molecular weight 360.15 g/mol. IUPAC: 4-[3-hydroxy-2-oxo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-1-yl]butanenitrile.
Chemical Property Profile of BAS 11402969
Property Insights of BAS 11402969
The XLogP value of 2.96988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11402969. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11402969. Following Lipinski's Rule of Five, BAS 11402969 has 1 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 11402969?
The CAS number of BAS 11402969 is 876894-16-5.
What is the molecular formula of BAS 11402969?
The molecular formula of BAS 11402969 is C22H20N2O3.
What is the molecular weight of BAS 11402969?
The molecular weight of BAS 11402969 is 360.15 g/mol.
Where can I buy BAS 11402969?
You can request a quote for BAS 11402969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11402969?
Yes, KEHONG BIO provides custom synthesis services for BAS 11402969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.