Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester
TL;DR: Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester (CAS 73713-57-2) is a chemical compound with molecular formula C17H25NO3 and molecular weight 291.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-ylethyl 2-butoxybenzoate
Also Known As: 2-(Pyrrolidinyl)ethyl o-butoxybenzoate, 2-pyrrolidin-1-ylethyl 2-butoxybenzoate, 2-(pyrrolidin-1-yl)ethyl 2-butoxybenzoate, BENZOIC ACID, o-BUTOXY-, 2-(PYRROLIDINYL)ETHYL ESTER, 2-(1-Pyrrolidinyl)ethyl=o-butoxybenzoate
| Molecular Formula | C17H25NO3 |
|---|---|
| Molecular Weight | 291.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 291.18344 |
| Heavy Atoms | 21 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 73713-57-2 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1C(=O)OCCN2CCCC2 |
| InChIKey | KQESKWPZXUYZEE-UHFFFAOYSA-N |
Product Overview
Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester (CAS 73713-57-2), with molecular formula C17H25NO3 and molecular weight 291.18 g/mol. IUPAC: 2-pyrrolidin-1-ylethyl 2-butoxybenzoate.
Chemical Property Profile of Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester
Property Insights of Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester
The XLogP value of 3.5 indicates that Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester 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 Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester?
The CAS number of Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester is 73713-57-2.
What is the molecular formula of Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester?
The molecular formula of Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester is C17H25NO3.
What is the molecular weight of Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester?
The molecular weight of Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester is 291.18 g/mol.
Where can I buy Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester?
You can request a quote for Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.