2-Propenoic acid, 3-(1H-pyrrol-3-yl)-
TL;DR: 2-Propenoic acid, 3-(1H-pyrrol-3-yl)- (CAS 85310-57-2) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-pyrrol-3-yl)prop-2-enoic acid
Also Known As: 3-(1H-pyrrol-3-yl)prop-2-enoic acid, 2-Propenoic acid, 3-(1H-pyrrol-3-yl)-, 3-(1H-Pyrrol-3-yl)acrylic acid, 3-(1H-Pyrrol-3-yl)-2-propenoic acid, (2E)-3-(1H-pyrrol-3-yl)prop-2-enoic acid
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 85310-57-2 |
|---|---|
| SMILES | C1=CNC=C1C=CC(=O)O |
| InChIKey | GDACOBAFWPGBOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-(1H-pyrrol-3-yl)- (CAS 85310-57-2), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: 3-(1H-pyrrol-3-yl)prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 3-(1H-pyrrol-3-yl)-
Property Insights of 2-Propenoic acid, 3-(1H-pyrrol-3-yl)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(1H-pyrrol-3-yl)-. With a topological polar surface area (TPSA) of 53.1 Ų, 2-Propenoic acid, 3-(1H-pyrrol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(1H-pyrrol-3-yl)- has 2 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 2-Propenoic acid, 3-(1H-pyrrol-3-yl)-?
The CAS number of 2-Propenoic acid, 3-(1H-pyrrol-3-yl)- is 85310-57-2.
What is the molecular formula of 2-Propenoic acid, 3-(1H-pyrrol-3-yl)-?
The molecular formula of 2-Propenoic acid, 3-(1H-pyrrol-3-yl)- is C7H7NO2.
What is the molecular weight of 2-Propenoic acid, 3-(1H-pyrrol-3-yl)-?
The molecular weight of 2-Propenoic acid, 3-(1H-pyrrol-3-yl)- is 137.05 g/mol.
Where can I buy 2-Propenoic acid, 3-(1H-pyrrol-3-yl)-?
You can request a quote for 2-Propenoic acid, 3-(1H-pyrrol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(1H-pyrrol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(1H-pyrrol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.