cyanomethyl 1H-pyrrole-2-carboxylate
TL;DR: cyanomethyl 1H-pyrrole-2-carboxylate (CAS 500576-60-3) is a chemical compound with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 1H-pyrrole-2-carboxylate
Also Known As: cyanomethyl 1H-pyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, cyanomethyl ester (9CI)
| Molecular Formula | C7H6N2O2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 65.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.04292 |
| Heavy Atoms | 11 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 500576-60-3 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)OCC#N |
| InChIKey | HVMRYWAWSSLXBY-UHFFFAOYSA-N |
Product Overview
cyanomethyl 1H-pyrrole-2-carboxylate (CAS 500576-60-3), with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol. IUPAC: cyanomethyl 1H-pyrrole-2-carboxylate.
Chemical Property Profile of cyanomethyl 1H-pyrrole-2-carboxylate
Property Insights of cyanomethyl 1H-pyrrole-2-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyanomethyl 1H-pyrrole-2-carboxylate. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for cyanomethyl 1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, cyanomethyl 1H-pyrrole-2-carboxylate 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 cyanomethyl 1H-pyrrole-2-carboxylate?
The CAS number of cyanomethyl 1H-pyrrole-2-carboxylate is 500576-60-3.
What is the molecular formula of cyanomethyl 1H-pyrrole-2-carboxylate?
The molecular formula of cyanomethyl 1H-pyrrole-2-carboxylate is C7H6N2O2.
What is the molecular weight of cyanomethyl 1H-pyrrole-2-carboxylate?
The molecular weight of cyanomethyl 1H-pyrrole-2-carboxylate is 150.04 g/mol.
Where can I buy cyanomethyl 1H-pyrrole-2-carboxylate?
You can request a quote for cyanomethyl 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 cyanomethyl 1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for cyanomethyl 1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.