(3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate
TL;DR: (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate (CAS 117845-15-5) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate
Also Known As: (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate, (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-3-carboxylate
| Molecular Formula | C7H13NO3 |
|---|---|
| Molecular Weight | 159.09 g/mol |
| LogP | -2.1966 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.08954 |
| Heavy Atoms | 11 |
| Complexity | 178.5245 |
Chemical Identifiers
| CAS Number | 117845-15-5 |
|---|---|
| SMILES | C[N+]1(C[C@@H]([C@H](C1)O)C(=O)[O-])C |
Product Overview
(3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate (CAS 117845-15-5), with molecular formula C7H13NO3 and molecular weight 159.09 g/mol. IUPAC: (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate.
Chemical Property Profile of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate
Property Insights of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate
The XLogP value of -2.1966 indicates that (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate. Following Lipinski's Rule of Five, (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate has 1 hydrogen bond donor(s) and 3 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 (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate?
The CAS number of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate is 117845-15-5.
What is the molecular formula of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate?
The molecular formula of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate is C7H13NO3.
What is the molecular weight of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate?
The molecular weight of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate is 159.09 g/mol.
Where can I buy (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate?
You can request a quote for (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.