Phenol,3- -,citrate
TL;DR: Phenol,3- -,citrate (CAS 4345-44-2) is a chemical compound with molecular formula C23H35NO8 and molecular weight 453.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-butyl-3-propylpyrrolidin-3-yl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Phenol,3- -,citrate, 3-(1-Butyl-3-propyl-3-pyrrolidinyl)phenol citrate, Phenol, 3-(1-butyl-3-propyl-3-pyrrolidinyl)-, citrate, Pyrrolidine, 1-butyl-3-(m-hydroxyphenyl)-3-propyl-, citrate, Phenol,3-(1-butyl-3-propyl-3-pyrrolidinyl)-,citrate
| Molecular Formula | C23H35NO8 |
|---|---|
| Molecular Weight | 453.24 g/mol |
| LogP | 2.6874 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 453.23627 |
| Heavy Atoms | 32 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 4345-44-2 |
|---|---|
| SMILES | CCCCN1CCC(C1)(CCC)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | GWMRNMIERPZKMM-UHFFFAOYSA-N |
Product Overview
Phenol,3- -,citrate (CAS 4345-44-2), with molecular formula C23H35NO8 and molecular weight 453.24 g/mol. IUPAC: 3-(1-butyl-3-propylpyrrolidin-3-yl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Phenol,3- -,citrate
Property Insights of Phenol,3- -,citrate
The XLogP value of 2.6874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol,3- -,citrate. The TPSA of 156.0 Ų indicates high polarity, suggesting Phenol,3- -,citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol,3- -,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- -,citrate?
The CAS number of Phenol,3- -,citrate is 4345-44-2.
What is the molecular formula of Phenol,3- -,citrate?
The molecular formula of Phenol,3- -,citrate is C23H35NO8.
What is the molecular weight of Phenol,3- -,citrate?
The molecular weight of Phenol,3- -,citrate is 453.24 g/mol.
Where can I buy Phenol,3- -,citrate?
You can request a quote for Phenol,3- -,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- -,citrate?
Yes, KEHONG BIO provides custom synthesis services for Phenol,3- -,citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.