![methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate structure](/static/products/852/852399-38-3.png)
methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate (CAS 852399-38-3) is a chemical compound with molecular formula C16H15Cl2NO3 and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate, methyl 5-acetyl-4-(2,5-dichlorobenzyl)-2-methyl-1H-pyrrole-3-carboxylate, methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methylpyrrole-3-carboxylate
| Molecular Formula | C16H15Cl2NO3 |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 4.20992 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.0429 |
| Heavy Atoms | 22 |
| Complexity | 750.0895 |
Chemical Identifiers
| CAS Number | 852399-38-3 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C(=O)C)CC2=C(C=CC(=C2)Cl)Cl)C(=O)OC |
Product Overview
methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate (CAS 852399-38-3), with molecular formula C16H15Cl2NO3 and molecular weight 339.04 g/mol. IUPAC: methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
The XLogP value of 4.20992 indicates that methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-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 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate is 852399-38-3.
What is the molecular formula of methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate is C16H15Cl2NO3.
What is the molecular weight of methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate is 339.04 g/mol.
Where can I buy methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-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 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-acetyl-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.