(Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1)
TL;DR: (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1) (CAS 42023-67-6) is a chemical compound with molecular formula C16H18ClNO2 and molecular weight 291.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridin-1-ium-2-ylmethyl 2-phenylbutanoate chloride
Also Known As: 2-Pyridylmethyl alpha-phenylbutyrate hydrochloride, F 1172, pyridin-1-ium-2-ylmethyl 2-phenylbutanoate chloride, Methanol, 2-pyridyl-, alpha-phenylbutyrate, hydrochloride, Benzeneacetic acid, alpha-ethyl-, 2-pyridylmethyl ester hydrochloride
Technical Specifications
| Molecular Formula | C16H18ClNO2 |
| Molecular Weight | 291.1026 g/mol |
| XLogP | -0.26 |
| Topological Polar Surface Area (TPSA) | 40.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.1026 Da |
| Heavy Atoms | 20 |
| Complexity | 274.0 |
| SMILES | CCC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=[NH+]2.[Cl-] |
| InChIKey | CQIIFAQZABVZCO-UHFFFAOYSA-N |
Chemical Property Profile of (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1)
Property Insights of (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1)
The XLogP value of -0.26 indicates that (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.4 Ų, (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1) 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
What is the CAS number of (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1)?
The CAS number of (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1) is 42023-67-6.
What is the molecular formula of (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1)?
The molecular formula of (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1) is C16H18ClNO2.
What is the molecular weight of (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1)?
The molecular weight of (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1) is 291.1026 g/mol.
Where can I buy (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1)?
You can request a quote for (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.