BAS 01556012
TL;DR: BAS 01556012 (CAS 6038-52-4) is a chemical compound with molecular formula C16H19N3O5 and molecular weight 333.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
Also Known As: BAS 01556012, BIM-0012872.P001, 4-Acetyl-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, 3-acetyl-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one, 3-acetyl-1-(2-dimethylaminoethyl)-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
| Molecular Formula | C16H19N3O5 |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 1.4408 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.13248 |
| Heavy Atoms | 24 |
| Complexity | 708.928 |
Chemical Identifiers
| CAS Number | 6038-52-4 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])CCN(C)C)O |
Product Overview
BAS 01556012 (CAS 6038-52-4), with molecular formula C16H19N3O5 and molecular weight 333.13 g/mol. IUPAC: 3-acetyl-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one.
Chemical Property Profile of BAS 01556012
Property Insights of BAS 01556012
The XLogP value of 1.4408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01556012. The TPSA of 103.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01556012. Following Lipinski's Rule of Five, BAS 01556012 has 1 hydrogen bond donor(s) and 6 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 01556012?
The CAS number of BAS 01556012 is 6038-52-4.
What is the molecular formula of BAS 01556012?
The molecular formula of BAS 01556012 is C16H19N3O5.
What is the molecular weight of BAS 01556012?
The molecular weight of BAS 01556012 is 333.13 g/mol.
Where can I buy BAS 01556012?
You can request a quote for BAS 01556012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01556012?
Yes, KEHONG BIO provides custom synthesis services for BAS 01556012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.