RefChem:1078928
TL;DR: RefChem:1078928 (CAS 3737-66-4) is a chemical compound with molecular formula C19H30ClNO3 and molecular weight 355.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-ium-1-ylpropyl 2,6-dimethyl-4-propoxybenzoate chloride
Also Known As: U 2397, 2,6-Dimethyl-4-propoxy-benzoic acid 2-(1-pyrrolidinyl)propyl ester hydrochloride, Benzoic acid, 2,6-dimethyl-4-propoxy-, 2-(1-pyrrolidinyl)propyl ester, hydrochloride, 2-pyrrolidin-1-ium-1-ylpropyl 2,6-dimethyl-4-propoxybenzoate chloride
| Molecular Formula | C19H30ClNO3 |
|---|---|
| Molecular Weight | 355.19 g/mol |
| LogP | -0.68 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.1914 |
| Heavy Atoms | 24 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 3737-66-4 |
|---|---|
| SMILES | CCCOC1=CC(=C(C(=C1)C)C(=O)OCC(C)[NH+]2CCCC2)C.[Cl-] |
| InChIKey | VRURHQHFZWVTPQ-UHFFFAOYSA-N |
Product Overview
RefChem:1078928 (CAS 3737-66-4), with molecular formula C19H30ClNO3 and molecular weight 355.19 g/mol. IUPAC: 2-pyrrolidin-1-ium-1-ylpropyl 2,6-dimethyl-4-propoxybenzoate chloride.
Chemical Property Profile of RefChem:1078928
Property Insights of RefChem:1078928
The XLogP value of -0.68 indicates that RefChem:1078928 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:1078928 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078928 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:1078928?
The CAS number of RefChem:1078928 is 3737-66-4.
What is the molecular formula of RefChem:1078928?
The molecular formula of RefChem:1078928 is C19H30ClNO3.
What is the molecular weight of RefChem:1078928?
The molecular weight of RefChem:1078928 is 355.19 g/mol.
Where can I buy RefChem:1078928?
You can request a quote for RefChem:1078928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078928?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.