benzyl 1H-pyrrole-2-carboxylate
TL;DR: benzyl 1H-pyrrole-2-carboxylate (CAS 35889-87-3) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 1H-pyrrole-2-carboxylate
Also Known As: benzyl 1H-pyrrole-2-carboxylate, carbobenzoxypyrrole, benzyl pyrrole-2-carboxylate, benzyl1H-pyrrole-2-carboxylate, 1H-pyrrole-2-carboxylic acid benzyl ester
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.3717 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 420.14746 |
Chemical Identifiers
| CAS Number | 35889-87-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CN2 |
Product Overview
benzyl 1H-pyrrole-2-carboxylate (CAS 35889-87-3), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: benzyl 1H-pyrrole-2-carboxylate.
Chemical Property Profile of benzyl 1H-pyrrole-2-carboxylate
Property Insights of benzyl 1H-pyrrole-2-carboxylate
The XLogP value of 2.3717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, benzyl 1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 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 benzyl 1H-pyrrole-2-carboxylate?
The CAS number of benzyl 1H-pyrrole-2-carboxylate is 35889-87-3.
What is the molecular formula of benzyl 1H-pyrrole-2-carboxylate?
The molecular formula of benzyl 1H-pyrrole-2-carboxylate is C12H11NO2.
What is the molecular weight of benzyl 1H-pyrrole-2-carboxylate?
The molecular weight of benzyl 1H-pyrrole-2-carboxylate is 201.08 g/mol.
Where can I buy benzyl 1H-pyrrole-2-carboxylate?
You can request a quote for benzyl 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 benzyl 1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.