BAS 03549181
TL;DR: BAS 03549181 (CAS 421579-08-0) is a chemical compound with molecular formula C22H21NO3 and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-prop-2-ynylindol-2-one
Also Known As: BAS 03549181, 3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one, 3-hydroxy-3-(2-(4-isopropylphenyl)-2-oxoethyl)-1-(prop-2-yn-1-yl)indolin-2-one, 3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-prop-2-ynylindol-2-one, 3-hydroxy-3-{2-[4-(methylethyl)phenyl]-2-oxoethyl}-1-prop-2-ynylindolin-2-one
| Molecular Formula | C22H21NO3 |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 3.2504 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.15213 |
| Heavy Atoms | 26 |
| Complexity | 892.3485 |
Chemical Identifiers
| CAS Number | 421579-08-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)CC#C)O |
Product Overview
BAS 03549181 (CAS 421579-08-0), with molecular formula C22H21NO3 and molecular weight 347.15 g/mol. IUPAC: 3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-prop-2-ynylindol-2-one.
Chemical Property Profile of BAS 03549181
Property Insights of BAS 03549181
The XLogP value of 3.2504 indicates that BAS 03549181 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, BAS 03549181 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03549181 has 1 hydrogen bond donor(s) and 3 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 03549181?
The CAS number of BAS 03549181 is 421579-08-0.
What is the molecular formula of BAS 03549181?
The molecular formula of BAS 03549181 is C22H21NO3.
What is the molecular weight of BAS 03549181?
The molecular weight of BAS 03549181 is 347.15 g/mol.
Where can I buy BAS 03549181?
You can request a quote for BAS 03549181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03549181?
Yes, KEHONG BIO provides custom synthesis services for BAS 03549181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.