methyl 4-propyl-1H-pyrrole-2-carboxylate
TL;DR: methyl 4-propyl-1H-pyrrole-2-carboxylate (CAS 123476-46-0) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-propyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-propyl-1H-pyrrole-2-carboxylate, 1H-pyrrole-2-carboxylic acid, 4-propyl-, methyl ester, InChI=1/C9H13NO2/c1-3-4-7-5-8(10-6-7)9(11)12-2/h5-6,10H,3-4H2,1-2H
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 123476-46-0 |
|---|---|
| SMILES | CCCC1=CNC(=C1)C(=O)OC |
| InChIKey | JTIXDJYFLDZQRV-UHFFFAOYSA-N |
Product Overview
methyl 4-propyl-1H-pyrrole-2-carboxylate (CAS 123476-46-0), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: methyl 4-propyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-propyl-1H-pyrrole-2-carboxylate
Property Insights of methyl 4-propyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-propyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, methyl 4-propyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-propyl-1H-pyrrole-2-carboxylate 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 methyl 4-propyl-1H-pyrrole-2-carboxylate?
The CAS number of methyl 4-propyl-1H-pyrrole-2-carboxylate is 123476-46-0.
What is the molecular formula of methyl 4-propyl-1H-pyrrole-2-carboxylate?
The molecular formula of methyl 4-propyl-1H-pyrrole-2-carboxylate is C9H13NO2.
What is the molecular weight of methyl 4-propyl-1H-pyrrole-2-carboxylate?
The molecular weight of methyl 4-propyl-1H-pyrrole-2-carboxylate is 167.09 g/mol.
Where can I buy methyl 4-propyl-1H-pyrrole-2-carboxylate?
You can request a quote for methyl 4-propyl-1H-pyrrole-2-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-propyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-propyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.