3-乙酰基-4,5-二甲基-5-羟基-1,5-二氢-2H-吡咯-2-酮
TL;DR: 3-乙酰基-4,5-二甲基-5-羟基-1,5-二氢-2H-吡咯-2-酮 (CAS 98593-79-4) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙酰基-4,5-二甲基-5-羟基-1,5-二氢-2H-吡咯-2-酮
3-acetyl-5-hydroxy-4,5-dimethyl-1H-pyrrol-2-one
Also Known As: 3-acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one, 3-Acetyl-5-hydroxy-4,5-dimethyl-1H-pyrrol-2(5H)-one, 3-acetyl-5-hydroxy-4,5-dimethyl-1H-pyrrol-2-one, 3-acetyl-5-hydroxy-4,5-dimethyl-1,5-dihydro-2h-pyrrol-2-one, 5-Dimethylaminonaphthalene-1-sulfonyl-L-leucine
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 98593-79-4 |
|---|---|
| SMILES | CC1=C(C(=O)NC1(C)O)C(=O)C |
| InChIKey | DHZJIJWGYQXKFT-UHFFFAOYSA-N |
Product Overview
3-乙酰基-4,5-二甲基-5-羟基-1,5-二氢-2H-吡咯-2-酮 (CAS 98593-79-4), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: 3-acetyl-5-hydroxy-4,5-dimethyl-1H-pyrrol-2-one.
Chemical Property Profile of 3-乙酰基-4,5-二甲基-5-羟基-1,5-二氢-2H-吡咯-2-酮
Property Insights of 3-乙酰基-4,5-二甲基-5-羟基-1,5-二氢-2H-吡咯-2-酮
The XLogP value of -0.9 indicates that 3-乙酰基-4,5-二甲基-5-羟基-1,5-二氢-2H-吡咯-2-酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-乙酰基-4,5-二甲基-5-羟基-1,5-二氢-2H-吡咯-2-酮. Following Lipinski's Rule of Five, 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one has 2 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 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one?
The CAS number of 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one is 98593-79-4.
What is the molecular formula of 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one?
The molecular formula of 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one is C8H11NO3.
What is the molecular weight of 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one?
The molecular weight of 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one is 169.07 g/mol.
Where can I buy 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one?
You can request a quote for 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.