cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2)
TL;DR: cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2) (CAS 74650-46-7) is a chemical compound with molecular formula C21H23FN2O8 and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine;oxalic acid
Also Known As: cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2), Pyridine, 4-(2,2-dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)-, ethanedioate (1:2), cis-(+-)-, 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine; oxalic acid, Oxalic acid--4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine (2/1), RefChem:376765
| Molecular Formula | C21H23FN2O8 |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 2.1287 |
| Topological Polar Surface Area | 174.12 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.14383 |
| Heavy Atoms | 32 |
| Complexity | 900.0318 |
Chemical Identifiers
| CAS Number | 74650-46-7 |
|---|---|
| SMILES | CC1([C@@H](C[C@@H](N1)C2=CC=C(C=C2)F)C3=CC=NC=C3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2) (CAS 74650-46-7), with molecular formula C21H23FN2O8 and molecular weight 450.14 g/mol. IUPAC: 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine;oxalic acid.
Chemical Property Profile of cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2)
Property Insights of cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2)
The XLogP value of 2.1287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2). The TPSA of 174.12 Ų indicates high polarity, suggesting cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2) has 5 hydrogen bond donor(s) and 6 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 cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2)?
The CAS number of cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2) is 74650-46-7.
What is the molecular formula of cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2)?
The molecular formula of cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2) is C21H23FN2O8.
What is the molecular weight of cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2)?
The molecular weight of cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2) is 450.14 g/mol.
Where can I buy cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2)?
You can request a quote for cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.