BAS 03549195
TL;DR: BAS 03549195 (CAS 421579-15-9) is a chemical compound with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
Also Known As: BAS 03549195, AB00115126-01, 3-{2-[4-(dimethylamino)phenyl]-2-oxoethyl}-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one, 3-[2-(4-dimethylaminophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one, 3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
| Molecular Formula | C21H20N2O3 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 2.193 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.1474 |
| Heavy Atoms | 26 |
| Complexity | 896.21735 |
Chemical Identifiers
| CAS Number | 421579-15-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)CC#C)O |
Product Overview
BAS 03549195 (CAS 421579-15-9), with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol. IUPAC: 3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one.
Chemical Property Profile of BAS 03549195
Property Insights of BAS 03549195
The XLogP value of 2.193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03549195. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03549195. Following Lipinski's Rule of Five, BAS 03549195 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 03549195?
The CAS number of BAS 03549195 is 421579-15-9.
What is the molecular formula of BAS 03549195?
The molecular formula of BAS 03549195 is C21H20N2O3.
What is the molecular weight of BAS 03549195?
The molecular weight of BAS 03549195 is 348.15 g/mol.
Where can I buy BAS 03549195?
You can request a quote for BAS 03549195 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03549195?
Yes, KEHONG BIO provides custom synthesis services for BAS 03549195 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.