2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1)
TL;DR: 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1) (CAS 3686-69-9) is a chemical compound with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-ium-1-ylethyl 4-propoxybenzoate chloride
Also Known As: 1-Rbo-12-A, p-Propoxybenzoic acid 2-(1-pyrrolidinyl)ethyl ester hydrochloride, 2-pyrrolidin-1-ium-1-ylethyl 4-propoxybenzoate chloride, BENZOIC ACID, p-PROPOXY-, 2-(1-PYRROLIDINYL)ETHYL ESTER, HYDROCHLORIDE, 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1)
| Molecular Formula | C16H24ClNO3 |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | -1.69 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.14447 |
| Heavy Atoms | 21 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 3686-69-9 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)OCC[NH+]2CCCC2.[Cl-] |
| InChIKey | GMWSUJWYXLPLLA-UHFFFAOYSA-N |
Product Overview
2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1) (CAS 3686-69-9), with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol. IUPAC: 2-pyrrolidin-1-ium-1-ylethyl 4-propoxybenzoate chloride.
Chemical Property Profile of 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1)
Property Insights of 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1)
The XLogP value of -1.69 indicates that 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1) has 1 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 4-propoxybenzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1) is 3686-69-9.
What is the molecular formula of 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1) is C16H24ClNO3.
What is the molecular weight of 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1) is 313.14 g/mol.
Where can I buy 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1) 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 4-propoxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyrrolidin-1-yl)ethyl 4-propoxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.