trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine
TL;DR: trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine (CAS 74650-43-4) is a chemical compound with molecular formula C18H21N3O4 and molecular weight 343.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,4S)-5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl]pyridine;oxalic acid
Also Known As: trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine, Pyridine, 3-(5,5-dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)-, trans-(+-)-, ethanedioate (1:1), 3-[(2S,4S)-5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl]pyridine; oxalic acid, Oxalic acid--3-[(2S,4S)-5,5-dimethyl-4-(pyridin-4-yl)pyrrolidin-2-yl]pyridine (1/1), RefChem:376707
| Molecular Formula | C18H21N3O4 |
|---|---|
| Molecular Weight | 343.15 g/mol |
| LogP | 2.229 |
| Topological Polar Surface Area | 112.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.1532 |
| Heavy Atoms | 25 |
| Complexity | 707.6157 |
Chemical Identifiers
| CAS Number | 74650-43-4 |
|---|---|
| SMILES | CC1([C@@H](C[C@H](N1)C2=CN=CC=C2)C3=CC=NC=C3)C.C(=O)(C(=O)O)O |
Product Overview
trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine (CAS 74650-43-4), with molecular formula C18H21N3O4 and molecular weight 343.15 g/mol. IUPAC: 3-[(2S,4S)-5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl]pyridine;oxalic acid.
Chemical Property Profile of trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine
Property Insights of trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine
The XLogP value of 2.229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine. The TPSA of 112.41 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine. Following Lipinski's Rule of Five, trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine has 3 hydrogen bond donor(s) and 5 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 trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine?
The CAS number of trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine is 74650-43-4.
What is the molecular formula of trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine?
The molecular formula of trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine is C18H21N3O4.
What is the molecular weight of trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine?
The molecular weight of trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine is 343.15 g/mol.
Where can I buy trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine?
You can request a quote for trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.