1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
TL;DR: 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid (CAS 183998-33-6) 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.
1-acetyl-5-methyl-2H-pyrrole-5-carboxylic acid
Also Known As: UPCMLD08ADHK001043, 1-acetyl-5-methyl-2H-pyrrole-5-carboxylic acid, CMLD4_000347, 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid, SDCCGMLS-0091360.P001
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 0.248 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 259.0286 |
Chemical Identifiers
| CAS Number | 183998-33-6 |
|---|---|
| SMILES | CC(=O)N1CC=CC1(C)C(=O)O |
Product Overview
1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid (CAS 183998-33-6), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: 1-acetyl-5-methyl-2H-pyrrole-5-carboxylic acid.
Chemical Property Profile of 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
Property Insights of 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
The XLogP value of 0.248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
The CAS number of 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid is 183998-33-6.
What is the molecular formula of 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
The molecular formula of 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid is C8H11NO3.
What is the molecular weight of 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
The molecular weight of 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid is 169.07 g/mol.
Where can I buy 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
You can request a quote for 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.