methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate
TL;DR: methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate (CAS 454473-64-4) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-4-pyrrol-1-ylbenzoate
Also Known As: methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate, methyl 2-hydroxy-4-pyrrol-1-ylbenzoate, methyl 2-hydroxy-4-pyrrolylbenzoate, methylhydroxypyrrolylbenzenecarboxylate, methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzenecarboxylate
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.9695 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 502.98737 |
Chemical Identifiers
| CAS Number | 454473-64-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)N2C=CC=C2)O |
Product Overview
methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate (CAS 454473-64-4), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: methyl 2-hydroxy-4-pyrrol-1-ylbenzoate.
Chemical Property Profile of methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate
Property Insights of methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate
The XLogP value of 1.9695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate. With a topological polar surface area (TPSA) of 51.46 Ų, methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate 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 methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate?
The CAS number of methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate is 454473-64-4.
What is the molecular formula of methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate?
The molecular formula of methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate is C12H11NO3.
What is the molecular weight of methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate?
The molecular weight of methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate is 217.07 g/mol.
Where can I buy methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate?
You can request a quote for methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-hydroxy-4-(1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.