Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate
TL;DR: Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate (CAS 4347-68-6) is a chemical compound with molecular formula C25H39NO8 and molecular weight 481.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-(3-methylbutyl)-3-(2-methylpropyl)pyrrolidin-3-yl]phenol
Also Known As: 3-(3-Isobutyl-1-isopentyl-3-pyrrolidinyl)phenol citrate, C19H31NO.C6H8O7.1/2H2O, Pyrrolidine, 3-(m-hydroxyphenyl)-3-isobutyl-1-isopentyl-, citrate, C19-H31-N-O.C6-H8-O7.1/2H2-O, Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate
| Molecular Formula | C25H39NO8 |
|---|---|
| Molecular Weight | 481.27 g/mol |
| LogP | 3.1794 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 481.26758 |
| Heavy Atoms | 34 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 4347-68-6 |
|---|---|
| SMILES | CC(C)CCN1CCC(C1)(CC(C)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | RAUIJPUIOMACDC-UHFFFAOYSA-N |
Product Overview
Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate (CAS 4347-68-6), with molecular formula C25H39NO8 and molecular weight 481.27 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-(3-methylbutyl)-3-(2-methylpropyl)pyrrolidin-3-yl]phenol.
Chemical Property Profile of Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate
Property Insights of Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate
The XLogP value of 3.1794 indicates that Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate 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-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate 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-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate?
The CAS number of Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate is 4347-68-6.
What is the molecular formula of Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate?
The molecular formula of Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate is C25H39NO8.
What is the molecular weight of Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate?
The molecular weight of Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate is 481.27 g/mol.
Where can I buy Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate?
You can request a quote for Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(3-isobutyl-1-isopentyl-3-pyrrolidinyl)-, citrate, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.