![1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride structure](/static/products/1054/105404-38-4.webp)
1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride
TL;DR: 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride (CAS 105404-38-4) is a chemical compound with molecular formula C22H39Cl2N3O3 and molecular weight 463.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-butoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]-diethylazanium dichloride
Also Known As: 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride, [2-[(2-butoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]-diethylazanium dichloride, CARBAMIC ACID, (2-BUTOXYPHENYL)-, 1-((DIETHYLAMINO)METHYL)-2-(1-PYRROLIDINYL)ETH, 1-[2-{[(2-Butoxyphenyl)carbamoyl]oxy}-3-(diethylazaniumyl)propyl]pyrrolidin-1-ium dichloride
| Molecular Formula | C22H39Cl2N3O3 |
|---|---|
| Molecular Weight | 463.24 g/mol |
| LogP | -4.61 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 463.23685 |
| Heavy Atoms | 30 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 105404-38-4 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.[Cl-].[Cl-] |
| InChIKey | DVUGMXTYVZSYBZ-UHFFFAOYSA-N |
Product Overview
1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride (CAS 105404-38-4), with molecular formula C22H39Cl2N3O3 and molecular weight 463.24 g/mol. IUPAC: [2-[(2-butoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]-diethylazanium dichloride.
Chemical Property Profile of 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride
Property Insights of 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride
The XLogP value of -4.61 indicates that 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.4 Ų, 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride has 3 hydrogen bond donor(s) and 5 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 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride?
The CAS number of 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride is 105404-38-4.
What is the molecular formula of 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride?
The molecular formula of 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride is C22H39Cl2N3O3.
What is the molecular weight of 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride?
The molecular weight of 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride is 463.24 g/mol.
Where can I buy 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride?
You can request a quote for 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-{[(2-butoxyphenyl)carbamoyl]oxy}-3-(diethylammonio)propyl]pyrrolidinium dichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.