(Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1)
TL;DR: (Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1) (CAS 42023-66-5) is a chemical compound with molecular formula C14H13Cl2NO2 and molecular weight 297.03235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridin-1-ium-2-ylmethyl 2-chloro-2-phenylacetate chloride
Also Known As: F 1171, pyridin-1-ium-2-ylmethyl 2-chloro-2-phenylacetate chloride, Methanol, 2-pyridyl-, alpha-chlorobenzeneacetate hydrochloride, ACETIC ACID, 2-CHLORO-2-PHENYL-, 2-PYRIDYLMETHYL ESTER, HYDROCHLORIDE, Benzeneacetic acid, alpha-chloro-, (2-pyridylmethyl) ester, hydrochloride
Technical Specifications
| Molecular Formula | C14H13Cl2NO2 |
| Molecular Weight | 297.03235 g/mol |
| XLogP | -0.47 |
| Topological Polar Surface Area (TPSA) | 40.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.03235 Da |
| Heavy Atoms | 19 |
| Complexity | 267.0 |
| SMILES | C1=CC=C(C=C1)C(C(=O)OCC2=CC=CC=[NH+]2)Cl.[Cl-] |
| InChIKey | LNXCVIKZIRVTIQ-UHFFFAOYSA-N |
Chemical Property Profile of (Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1)
Property Insights of (Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1)
The XLogP value of -0.47 indicates that (Pyridin-2-yl)methyl chloro(phenyl)acetate--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 chloro(phenyl)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Pyridin-2-yl)methyl chloro(phenyl)acetate--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 chloro(phenyl)acetate--hydrogen chloride (1/1)?
The CAS number of (Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1) is 42023-66-5.
What is the molecular formula of (Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1)?
The molecular formula of (Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1) is C14H13Cl2NO2.
What is the molecular weight of (Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1)?
The molecular weight of (Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1) is 297.03235 g/mol.
Where can I buy (Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1)?
You can request a quote for (Pyridin-2-yl)methyl chloro(phenyl)acetate--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 chloro(phenyl)acetate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for (Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.