Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate
TL;DR: Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate (CAS 1505-33-5) is a chemical compound with molecular formula C18H27NO2 and molecular weight 289.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1-methyl-3-propylpyrrolidin-3-yl)phenyl] 2-methylpropanoate
Also Known As: starbld0037888, Isobutyricacid3- phenylester, Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate, [3-(1-methyl-3-propylpyrrolidin-3-yl)phenyl] 2-methylpropanoate, 3-(1-Methyl-3-propyl-3-pyrrolidinyl)phenol isobutyrate
| Molecular Formula | C18H27NO2 |
|---|---|
| Molecular Weight | 289.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.2042 |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 1505-33-5 |
|---|---|
| SMILES | CCCC1(CCN(C1)C)C2=CC(=CC=C2)OC(=O)C(C)C |
| InChIKey | MJMYFJLOESUOLS-UHFFFAOYSA-N |
Product Overview
Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate (CAS 1505-33-5), with molecular formula C18H27NO2 and molecular weight 289.20 g/mol. IUPAC: [3-(1-methyl-3-propylpyrrolidin-3-yl)phenyl] 2-methylpropanoate.
Chemical Property Profile of Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate
Property Insights of Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate
The XLogP value of 4.4 indicates that Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate has 0 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 Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate?
The CAS number of Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate is 1505-33-5.
What is the molecular formula of Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate?
The molecular formula of Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate is C18H27NO2.
What is the molecular weight of Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate?
The molecular weight of Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate is 289.20 g/mol.
Where can I buy Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate?
You can request a quote for Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.