Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole
TL;DR: Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole (CAS 90663-63-1) 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.
3-(4-acetyl-5-methyl-1H-pyrrol-3-yl)propanoic acid
Also Known As: PBMPP, 1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-, 3-(4-Acetyl-5-methyl-1H-pyrrol-3-yl)propanoic acid, Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole, J3.103.457D
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 90663-63-1 |
|---|---|
| SMILES | CC1=C(C(=CN1)CCC(=O)O)C(=O)C |
| InChIKey | PNZIZPJYPBTHTM-UHFFFAOYSA-N |
Product Overview
Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole (CAS 90663-63-1), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 3-(4-acetyl-5-methyl-1H-pyrrol-3-yl)propanoic acid.
Chemical Property Profile of Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole
Property Insights of Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole. Following Lipinski's Rule of Five, Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole 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 Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole?
The CAS number of Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole is 90663-63-1.
What is the molecular formula of Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole?
The molecular formula of Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole is C10H13NO3.
What is the molecular weight of Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole?
The molecular weight of Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole is 195.09 g/mol.
Where can I buy Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole?
You can request a quote for Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole?
Yes, KEHONG BIO provides custom synthesis services for Pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.