Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate
TL;DR: Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate (CAS 99240-62-7) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-phenyl-2-propanoyl-1H-pyrrole-3-carboxylate
Also Known As: Me-Pppc, Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate, methyl 5-phenyl-2-propanoyl-1h-pyrrole-3-carboxylate, methyl 5-phenyl-2-propanyl-3-pyrrolecarboxylate, trimethyl-[(2-phenylphenyl)methyl]azanium,bromide
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 99240-62-7 |
|---|---|
| SMILES | CCC(=O)C1=C(C=C(N1)C2=CC=CC=C2)C(=O)OC |
| InChIKey | BJMDCXZRQJFTJP-UHFFFAOYSA-N |
Product Overview
Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate (CAS 99240-62-7), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: methyl 5-phenyl-2-propanoyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate
Property Insights of Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate. With a topological polar surface area (TPSA) of 59.2 Ų, Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate 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-phenyl-2-propionyl-3-pyrrolecarboxylate?
The CAS number of Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate is 99240-62-7.
What is the molecular formula of Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate?
The molecular formula of Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate is C15H15NO3.
What is the molecular weight of Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate?
The molecular weight of Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate is 257.11 g/mol.
Where can I buy Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate?
You can request a quote for Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.