3-Methylbenzyl 1H-pyrrole-2-carboxylate
TL;DR: 3-Methylbenzyl 1H-pyrrole-2-carboxylate (CAS 87462-15-5) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl)methyl 1H-pyrrole-2-carboxylate
Also Known As: 3-Methylbenzyl 1H-pyrrole-2-carboxylate, (3-methylphenyl)methyl 1H-pyrrole-2-carboxylate
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.68012 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 474.43762 |
Chemical Identifiers
| CAS Number | 87462-15-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)COC(=O)C2=CC=CN2 |
Product Overview
3-Methylbenzyl 1H-pyrrole-2-carboxylate (CAS 87462-15-5), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: (3-methylphenyl)methyl 1H-pyrrole-2-carboxylate.
Chemical Property Profile of 3-Methylbenzyl 1H-pyrrole-2-carboxylate
Property Insights of 3-Methylbenzyl 1H-pyrrole-2-carboxylate
The XLogP value of 2.68012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzyl 1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, 3-Methylbenzyl 1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenzyl 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 3-Methylbenzyl 1H-pyrrole-2-carboxylate?
The CAS number of 3-Methylbenzyl 1H-pyrrole-2-carboxylate is 87462-15-5.
What is the molecular formula of 3-Methylbenzyl 1H-pyrrole-2-carboxylate?
The molecular formula of 3-Methylbenzyl 1H-pyrrole-2-carboxylate is C13H13NO2.
What is the molecular weight of 3-Methylbenzyl 1H-pyrrole-2-carboxylate?
The molecular weight of 3-Methylbenzyl 1H-pyrrole-2-carboxylate is 215.09 g/mol.
Where can I buy 3-Methylbenzyl 1H-pyrrole-2-carboxylate?
You can request a quote for 3-Methylbenzyl 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 3-Methylbenzyl 1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzyl 1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.