BAS 01556021
TL;DR: BAS 01556021 (CAS 5113-45-1) is a chemical compound with molecular formula C16H18Cl2N2O3 and molecular weight 356.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-(2,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2H-pyrrol-5-one
Also Known As: BAS 01556021, AQ-149/13889466, 3-acetyl-2-(2,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2H-pyrrol-5-one, 4-acetyl-5-(2,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 3-acetyl-2-(2,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-4-hydroxy-2H-pyrrol-5-one
| Molecular Formula | C16H18Cl2N2O3 |
|---|---|
| Molecular Weight | 356.07 g/mol |
| LogP | 2.8394 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.06946 |
| Heavy Atoms | 23 |
| Complexity | 685.90295 |
Chemical Identifiers
| CAS Number | 5113-45-1 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=C(C=C(C=C2)Cl)Cl)CCN(C)C)O |
Product Overview
BAS 01556021 (CAS 5113-45-1), with molecular formula C16H18Cl2N2O3 and molecular weight 356.07 g/mol. IUPAC: 3-acetyl-2-(2,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2H-pyrrol-5-one.
Chemical Property Profile of BAS 01556021
Property Insights of BAS 01556021
The XLogP value of 2.8394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01556021. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01556021. Following Lipinski's Rule of Five, BAS 01556021 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 01556021?
The CAS number of BAS 01556021 is 5113-45-1.
What is the molecular formula of BAS 01556021?
The molecular formula of BAS 01556021 is C16H18Cl2N2O3.
What is the molecular weight of BAS 01556021?
The molecular weight of BAS 01556021 is 356.07 g/mol.
Where can I buy BAS 01556021?
You can request a quote for BAS 01556021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01556021?
Yes, KEHONG BIO provides custom synthesis services for BAS 01556021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.