Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide
TL;DR: Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide (CAS 69494-07-1) is a chemical compound with molecular formula C13H20INO2 and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-2-ylmethyl 2,2-dimethylpentanoate;hydroiodide
Also Known As: 2-Pyridylmethyl 2,2-dimethylvalerate hydriodide, Methanol, 2-pyridyl-, dimethylvalerate hydriodide, Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide, Pentanoic acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide, pyridin-2-ylmethyl 2,2-dimethylpentanoate hydroiodide
| Molecular Formula | C13H20INO2 |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 3.5691 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.0539 |
| Heavy Atoms | 17 |
| Complexity | 338.5325 |
Chemical Identifiers
| CAS Number | 69494-07-1 |
|---|---|
| SMILES | CCCC(C)(C)C(=O)OCC1=CC=CC=N1.I |
Product Overview
Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide (CAS 69494-07-1), with molecular formula C13H20INO2 and molecular weight 349.05 g/mol. IUPAC: pyridin-2-ylmethyl 2,2-dimethylpentanoate;hydroiodide.
Chemical Property Profile of Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide
Property Insights of Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide
The XLogP value of 3.5691 indicates that Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide has 0 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 Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide?
The CAS number of Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide is 69494-07-1.
What is the molecular formula of Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide?
The molecular formula of Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide is C13H20INO2.
What is the molecular weight of Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide?
The molecular weight of Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide is 349.05 g/mol.
Where can I buy Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide?
You can request a quote for Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide?
Yes, KEHONG BIO provides custom synthesis services for Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.