RefChem:1049299
TL;DR: RefChem:1049299 (CAS 3043-05-8) is a chemical compound with molecular formula C23H30ClNO3 and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-propoxyacetate chloride
Also Known As: Acetic acid, 2,2-diphenyl-2-propoxy-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrochloride, 2,2-Diphenyl-2-propoxyacetic acid (1-methyl-2-pyrrolidinyl)methyl ester hydrochloride, (1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-propoxyacetate chloride, (1-Methylpyrrolidin-2-yl)methyl diphenyl(propoxy)acetate--hydrogen chloride (1/1), RefChem:1049299
| Molecular Formula | C23H30ClNO3 |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | -0.42 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 403.1914 |
| Heavy Atoms | 28 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 3043-05-8 |
|---|---|
| SMILES | CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3CCC[NH+]3C.[Cl-] |
| InChIKey | HHTZNYIAPKEFPQ-UHFFFAOYSA-N |
Product Overview
RefChem:1049299 (CAS 3043-05-8), with molecular formula C23H30ClNO3 and molecular weight 403.19 g/mol. IUPAC: (1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-propoxyacetate chloride.
Chemical Property Profile of RefChem:1049299
Property Insights of RefChem:1049299
The XLogP value of -0.42 indicates that RefChem:1049299 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:1049299 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049299 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:1049299?
The CAS number of RefChem:1049299 is 3043-05-8.
What is the molecular formula of RefChem:1049299?
The molecular formula of RefChem:1049299 is C23H30ClNO3.
What is the molecular weight of RefChem:1049299?
The molecular weight of RefChem:1049299 is 403.19 g/mol.
Where can I buy RefChem:1049299?
You can request a quote for RefChem:1049299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049299?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.