Choline, salt with 2-propylvaleric acid (1:1)
TL;DR: Choline, salt with 2-propylvaleric acid (1:1) (CAS 13943-50-5) is a chemical compound with molecular formula C13H30NO3+ and molecular weight 248.22256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyethyl(trimethyl)azanium;2-propylpentanoic acid
Also Known As: DPA choline, Dipropylacetate de choline, Choline alpha,alpha-dipropylacetate, Dipropylacetate de choline [French], Choline, salt with 2-propylvaleric acid (1:1)
Technical Specifications
| Molecular Formula | C13H30NO3+ |
| Molecular Weight | 248.22256 g/mol |
| XLogP | 1.9723 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.22256 Da |
| Heavy Atoms | 17 |
| Complexity | 140.0 |
| SMILES | CCCC(CCC)C(=O)O.C[N+](C)(C)CCO |
| InChIKey | HEFRTMGTYPWNOT-UHFFFAOYSA-N |
Chemical Property Profile of Choline, salt with 2-propylvaleric acid (1:1)
Property Insights of Choline, salt with 2-propylvaleric acid (1:1)
The XLogP value of 1.9723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Choline, salt with 2-propylvaleric acid (1:1). With a topological polar surface area (TPSA) of 57.5 Ų, Choline, salt with 2-propylvaleric acid (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, salt with 2-propylvaleric acid (1:1) has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Choline, salt with 2-propylvaleric acid (1:1)?
The CAS number of Choline, salt with 2-propylvaleric acid (1:1) is 13943-50-5.
What is the molecular formula of Choline, salt with 2-propylvaleric acid (1:1)?
The molecular formula of Choline, salt with 2-propylvaleric acid (1:1) is C13H30NO3+.
What is the molecular weight of Choline, salt with 2-propylvaleric acid (1:1)?
The molecular weight of Choline, salt with 2-propylvaleric acid (1:1) is 248.22256 g/mol.
Where can I buy Choline, salt with 2-propylvaleric acid (1:1)?
You can request a quote for Choline, salt with 2-propylvaleric acid (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Choline, salt with 2-propylvaleric acid (1:1)?
Yes, CoreyChem provides custom synthesis services for Choline, salt with 2-propylvaleric acid (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.