propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
TL;DR: propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 708217-05-4) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-(2,5-dimethylpyrrol-1-yl)benzoate
Also Known As: ASISCHEMY80304, ASISCHEM Y80304, propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate, isopropyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate, propan-2-yl 3-(2,5-dimethylpyrrol-1-yl)benzoate
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 3.65934 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 577.04645 |
Chemical Identifiers
| CAS Number | 708217-05-4 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=CC(=C2)C(=O)OC(C)C)C |
Product Overview
propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 708217-05-4), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: propan-2-yl 3-(2,5-dimethylpyrrol-1-yl)benzoate.
Chemical Property Profile of propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Property Insights of propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 3.65934 indicates that propan-2-yl 3-(2,5-dimethyl-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, propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propan-2-yl 3-(2,5-dimethyl-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 propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The CAS number of propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 708217-05-4.
What is the molecular formula of propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is C16H19NO2.
What is the molecular weight of propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 257.14 g/mol.
Where can I buy propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for propan-2-yl 3-(2,5-dimethyl-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 propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.