Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate
TL;DR: Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate (CAS 97055-89-5) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1H-pyrrol-3-yl)prop-2-enoate
Also Known As: (E)-Methyl 3-(1H-pyrrol-3-yl)acrylate, Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate, methyl (E)-3-(1H-pyrrol-3-yl)acrylate, METHYL (2E)-3-(1H-PYRROL-3-YL)PROP-2-ENOATE, RefChem:354613
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 1.2009 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 249.0656 |
Chemical Identifiers
| CAS Number | 97055-89-5 |
|---|---|
| SMILES | COC(=O)C=CC1=CNC=C1 |
Product Overview
Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate (CAS 97055-89-5), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: methyl 3-(1H-pyrrol-3-yl)prop-2-enoate.
Chemical Property Profile of Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate
Property Insights of Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate
The XLogP value of 1.2009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 42.09 Ų, Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate 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 3-(1H-pyrrol-3-yl)prop-2-enoate?
The CAS number of Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate is 97055-89-5.
What is the molecular formula of Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate?
The molecular formula of Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate is C8H9NO2.
What is the molecular weight of Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate?
The molecular weight of Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate is 151.06 g/mol.
Where can I buy Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate?
You can request a quote for Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1H-pyrrol-3-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.