Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride
TL;DR: Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride (CAS 42023-83-6) is a chemical compound with molecular formula C23H20ClNO3 and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-2-ylmethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride
Also Known As: Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride, 2-Pyridinylmethyl 2,2-diphenyl-2-((1-propyn-2-yl)oxy)acetate hydrochloride, pyridin-2-ylmethyl 2,2-diphenyl-2-prop-2-ynoxyacetate hydrochloride, (Pyridin-2-yl)methyl diphenyl[(prop-2-yn-1-yl)oxy]acetate--hydrogen chloride (1/1), RefChem:324327
| Molecular Formula | C23H20ClNO3 |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 4.1402 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.11316 |
| Heavy Atoms | 28 |
| Complexity | 869.34216 |
Chemical Identifiers
| CAS Number | 42023-83-6 |
|---|---|
| SMILES | C#CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=CC=CC=N3.Cl |
Product Overview
Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride (CAS 42023-83-6), with molecular formula C23H20ClNO3 and molecular weight 393.11 g/mol. IUPAC: pyridin-2-ylmethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride.
Chemical Property Profile of Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride
Property Insights of Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride
The XLogP value of 4.1402 indicates that Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride has 0 hydrogen bond donor(s) and 4 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 Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride?
The CAS number of Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride is 42023-83-6.
What is the molecular formula of Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride?
The molecular formula of Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride is C23H20ClNO3.
What is the molecular weight of Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride?
The molecular weight of Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride is 393.11 g/mol.
Where can I buy Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride?
You can request a quote for Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-pyridinylmethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.