butyl 4-(1H-pyrrol-1-yl)benzoate
TL;DR: butyl 4-(1H-pyrrol-1-yl)benzoate (CAS 428822-97-3) is a chemical compound with molecular formula C15H17NO2 and molecular weight 243.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-pyrrol-1-ylbenzoate
Also Known As: butyl 4-pyrrol-1-ylbenzoate, butyl 4-(1H-pyrrol-1-yl)benzoate, 4-Pyrrol-1-yl-benzoic acid butyl ester, AN-648/40769974
| Molecular Formula | C15H17NO2 |
|---|---|
| Molecular Weight | 243.13 g/mol |
| LogP | 3.4342 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.12593 |
| Heavy Atoms | 18 |
| Complexity | 485.722 |
Chemical Identifiers
| CAS Number | 428822-97-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C=CC=C2 |
Product Overview
butyl 4-(1H-pyrrol-1-yl)benzoate (CAS 428822-97-3), with molecular formula C15H17NO2 and molecular weight 243.13 g/mol. IUPAC: butyl 4-pyrrol-1-ylbenzoate.
Chemical Property Profile of butyl 4-(1H-pyrrol-1-yl)benzoate
Property Insights of butyl 4-(1H-pyrrol-1-yl)benzoate
The XLogP value of 3.4342 indicates that butyl 4-(1H-pyrrol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, butyl 4-(1H-pyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl 4-(1H-pyrrol-1-yl)benzoate has 0 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 butyl 4-(1H-pyrrol-1-yl)benzoate?
The CAS number of butyl 4-(1H-pyrrol-1-yl)benzoate is 428822-97-3.
What is the molecular formula of butyl 4-(1H-pyrrol-1-yl)benzoate?
The molecular formula of butyl 4-(1H-pyrrol-1-yl)benzoate is C15H17NO2.
What is the molecular weight of butyl 4-(1H-pyrrol-1-yl)benzoate?
The molecular weight of butyl 4-(1H-pyrrol-1-yl)benzoate is 243.13 g/mol.
Where can I buy butyl 4-(1H-pyrrol-1-yl)benzoate?
You can request a quote for butyl 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 butyl 4-(1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-(1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.