Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate
TL;DR: Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate (CAS 4347-27-7) is a chemical compound with molecular formula C26H41NO8 and molecular weight 495.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-hexyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 3-(1-Hexyl-3-isobutyl-3-pyrrolidinyl)phenol citrate, Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate, Pyrrolidine, 1-hexyl-3-(m-hydroxyphenyl)-7-isobutyl-, citrate, 3-(1-hexyl-3-isobutylpyrrolidin-3-yl)phenol 2-hydroxypropane-1,2,3-tricarboxylate(1:1), Pyrrolidine,1-hexyl-3-(m-hydroxyphenyl)-7-isobutyl-,citrate
| Molecular Formula | C26H41NO8 |
|---|---|
| Molecular Weight | 495.28 g/mol |
| LogP | 3.7136 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 495.2832 |
| Heavy Atoms | 35 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 4347-27-7 |
|---|---|
| SMILES | CCCCCCN1CCC(C1)(CC(C)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | JXDDGRFTPSTZPU-UHFFFAOYSA-N |
Product Overview
Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate (CAS 4347-27-7), with molecular formula C26H41NO8 and molecular weight 495.28 g/mol. IUPAC: 3-[1-hexyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate
Property Insights of Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate
The XLogP value of 3.7136 indicates that Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate has 5 hydrogen bond donor(s) and 9 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 Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate?
The CAS number of Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate is 4347-27-7.
What is the molecular formula of Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate?
The molecular formula of Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate is C26H41NO8.
What is the molecular weight of Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate?
The molecular weight of Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate is 495.28 g/mol.
Where can I buy Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate?
You can request a quote for Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(1-hexyl-3-isobutyl-3-pyrrolidinyl)-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.