Profadol citrate
TL;DR: Profadol citrate (CAS 64047-77-4) is a chemical compound with molecular formula C20H29NO8 and molecular weight 411.19 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-methyl-3-propylpyrrolidin-3-yl)phenol
Also Known As: Profadol citrate, 3-(1-Methyl-3-propyl-3-pyrrolidinyl)phenol citrate, Phenol, 3-(1-methyl-3-propyl-3-pyrrolidinyl)-, citrate, Pyrrolidine, 3-(5-hydroxyphenyl)-1-methyl-3-propyl-, citrate, 2-hydroxypropane-1,2,3-tricarboxylic acid,3-(1-methyl-3-prop
| Molecular Formula | C20H29NO8 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 1.52 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.18933 |
| Heavy Atoms | 29 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 64047-77-4 |
|---|---|
| SMILES | CCCC1(CCN(C1)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | GTEALFBGGWYLJS-UHFFFAOYSA-N |
Product Overview
Profadol citrate (CAS 64047-77-4), with molecular formula C20H29NO8 and molecular weight 411.19 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;3-(1-methyl-3-propylpyrrolidin-3-yl)phenol.
Chemical Property Profile of Profadol citrate
Property Insights of Profadol citrate
The XLogP value of 1.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Profadol citrate. The TPSA of 156.0 Ų indicates high polarity, suggesting Profadol citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Profadol 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 Profadol citrate?
The CAS number of Profadol citrate is 64047-77-4.
What is the molecular formula of Profadol citrate?
The molecular formula of Profadol citrate is C20H29NO8.
What is the molecular weight of Profadol citrate?
The molecular weight of Profadol citrate is 411.19 g/mol.
Where can I buy Profadol citrate?
You can request a quote for Profadol citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Profadol citrate?
Yes, KEHONG BIO provides custom synthesis services for Profadol citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.