Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 175205-90-0) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate, Maybridge1_008583, 4-BROMO-2-CHLOROACETANILIDE, 1H-pyrrole-3-carboxylic acid, 4-acetyl-2,5-dimethyl-, methyl ester, methyl 4-acetyl-2,5-dimethylpyrrole-3-carboxylate
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 1.62074 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 390.31653 |
Chemical Identifiers
| CAS Number | 175205-90-0 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C |
Product Overview
Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 175205-90-0), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.62074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate 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 Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is 175205-90-0.
What is the molecular formula of Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is C10H13NO3.
What is the molecular weight of Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is 195.09 g/mol.
Where can I buy Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.