Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate
TL;DR: Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate (CAS 64047-78-5) is a chemical compound with molecular formula C52H84N2O17 and molecular weight 1008.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-[3-(2,2-dimethylpropyl)-1-pentylpyrrolidin-3-yl]phenol);bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
Also Known As: C20H33NO.C6H8O7.1/2H2O, Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate, 3-(3-Neopentyl-1-pentyl-3-pyrrolidinyl)phenol citrate hemihydrate, C20-H33-N-O.C6-H8-O7.1/2H2-O, Pyrrolidine, 3-(m-hydroxyphenyl)-3-neopentyl-1-pentyl-, citrate, hemihydrate
| Molecular Formula | C52H84N2O17 |
|---|---|
| Molecular Weight | 1008.58 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 312.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 24 |
| Exact Mass | 1008.577 |
| Heavy Atoms | 71 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 64047-78-5 |
|---|---|
| SMILES | CCCCCN1CCC(C1)(CC(C)(C)C)C2=CC(=CC=C2)O.CCCCCN1CCC(C1)(CC(C)(C)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O |
| InChIKey | QEDZZDIPGCOCNO-UHFFFAOYSA-N |
Product Overview
Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate (CAS 64047-78-5), with molecular formula C52H84N2O17 and molecular weight 1008.58 g/mol. IUPAC: bis(3-[3-(2,2-dimethylpropyl)-1-pentylpyrrolidin-3-yl]phenol);bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate.
Chemical Property Profile of Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate
Property Insights of Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate
The XLogP value of 6.6 indicates that Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 312.0 Ų indicates high polarity, suggesting Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate?
The CAS number of Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate is 64047-78-5.
What is the molecular formula of Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate?
The molecular formula of Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate is C52H84N2O17.
What is the molecular weight of Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate?
The molecular weight of Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate is 1008.58 g/mol.
Where can I buy Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate?
You can request a quote for Phenol, 3-(3-neopentyl-1-pentyl-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-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.