3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮
TL;DR: 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮 (CAS 186379-49-7) is a chemical compound with molecular formula C16H27NO3 and molecular weight 281.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮
3-acetyl-5-hydroxy-4,5-dimethyl-1-octylpyrrol-2-one
Also Known As: m-t21, Mt 21, HSCI1_000059, 3-acetyl-5-hydroxy-4,5-dimethyl-1-octylpyrrol-2-one, 3-acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone
| Molecular Formula | C16H27NO3 |
|---|---|
| Molecular Weight | 281.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 281.1991 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 186379-49-7 |
|---|---|
| SMILES | CCCCCCCCN1C(=O)C(=C(C1(C)O)C)C(=O)C |
| InChIKey | IWFCPVZRZLDTPI-UHFFFAOYSA-N |
Product Overview
3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮 (CAS 186379-49-7), with molecular formula C16H27NO3 and molecular weight 281.20 g/mol. IUPAC: 3-acetyl-5-hydroxy-4,5-dimethyl-1-octylpyrrol-2-one.
Chemical Property Profile of 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮
Property Insights of 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮. With a topological polar surface area (TPSA) of 57.6 Ų, 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮 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 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮?
The CAS number of 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮 is 186379-49-7.
What is the molecular formula of 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮?
The molecular formula of 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮 is C16H27NO3.
What is the molecular weight of 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮?
The molecular weight of 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮 is 281.20 g/mol.
Where can I buy 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮?
You can request a quote for 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮?
Yes, KEHONG BIO provides custom synthesis services for 3-乙酰基-5-羟基-4,5-二甲基-1-辛基-2-吡咯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.