2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate
TL;DR: 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate (CAS 73909-18-9) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-ylethyl 2-butoxy-6-methylbenzoate
Also Known As: 2-(Pyrrolidinyl)ethyl 6-butoxy-o-toluate, o-Toluic acid, 6-butoxy-, 2-(pyrrolidinyl)ethyl ester, 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate, Benzoic acid, 2-butoxy-6-methyl-, 2-(1-pyrrolidinyl)ethyl ester, 2-pyrrolidin-1-ylethyl 2-butoxy-6-methylbenzoate
| Molecular Formula | C18H27NO3 |
|---|---|
| Molecular Weight | 305.20 g/mol |
| LogP | 3.42652 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 305.1991 |
| Heavy Atoms | 22 |
| Complexity | 481.22064 |
Chemical Identifiers
| CAS Number | 73909-18-9 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1C(=O)OCCN2CCCC2)C |
Product Overview
2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate (CAS 73909-18-9), with molecular formula C18H27NO3 and molecular weight 305.20 g/mol. IUPAC: 2-pyrrolidin-1-ylethyl 2-butoxy-6-methylbenzoate.
Chemical Property Profile of 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate
Property Insights of 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate
The XLogP value of 3.42652 indicates that 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate has 0 hydrogen bond donor(s) and 4 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 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate?
The CAS number of 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate is 73909-18-9.
What is the molecular formula of 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate?
The molecular formula of 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate is C18H27NO3.
What is the molecular weight of 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate?
The molecular weight of 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate is 305.20 g/mol.
Where can I buy 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate?
You can request a quote for 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyrrolidin-1-yl)ethyl 2-butoxy-6-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.