RefChem:1063682
TL;DR: RefChem:1063682 (CAS 95619-40-2) is a chemical compound with molecular formula C20H32ClNO3 and molecular weight 369.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-2-pyrrolidin-1-ium-1-ylpropyl) 2,6-dimethyl-4-propoxybenzoate chloride
Also Known As: 2,6-Dimethyl-4-propoxy-benzoic acid 2-methyl-2-(1-pyrrolidinyl)propyl ester, Benzoic acid, 2,6-dimethyl-4-propoxy-, 2-methyl-2-(1-pyrrolidinyl)propyl ester, hydrochloride, (2-methyl-2-pyrrolidin-1-ium-1-ylpropyl) 2,6-dimethyl-4-propoxybenzoate chloride, 2-Methyl-2-(pyrrolidin-1-yl)propyl 2,6-dimethyl-4-propoxybenzoate--hydrogen chloride (1/1), BENZOIC ACID, 2,6-DIMETHYL-4-PROPOXY-, 2-METHYL-2-(1-PYRROLIDINYL)PROPYL ESTER,
| Molecular Formula | C20H32ClNO3 |
|---|---|
| Molecular Weight | 369.21 g/mol |
| LogP | -0.29 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.20706 |
| Heavy Atoms | 25 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 95619-40-2 |
|---|---|
| SMILES | CCCOC1=CC(=C(C(=C1)C)C(=O)OCC(C)(C)[NH+]2CCCC2)C.[Cl-] |
| InChIKey | CVLJQEVYYPWOOA-UHFFFAOYSA-N |
Product Overview
RefChem:1063682 (CAS 95619-40-2), with molecular formula C20H32ClNO3 and molecular weight 369.21 g/mol. IUPAC: (2-methyl-2-pyrrolidin-1-ium-1-ylpropyl) 2,6-dimethyl-4-propoxybenzoate chloride.
Chemical Property Profile of RefChem:1063682
Property Insights of RefChem:1063682
The XLogP value of -0.29 indicates that RefChem:1063682 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, RefChem:1063682 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1063682 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 RefChem:1063682?
The CAS number of RefChem:1063682 is 95619-40-2.
What is the molecular formula of RefChem:1063682?
The molecular formula of RefChem:1063682 is C20H32ClNO3.
What is the molecular weight of RefChem:1063682?
The molecular weight of RefChem:1063682 is 369.21 g/mol.
Where can I buy RefChem:1063682?
You can request a quote for RefChem:1063682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063682?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.