(Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1)
TL;DR: (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1) (CAS 42023-72-3) is a chemical compound with molecular formula C22H20ClNO4 and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-1-ium-2-ylmethyl 2-acetyloxy-2,2-diphenylacetate chloride
Also Known As: Acetic acid, acetoxydiphenyl-, 2-pyridylmethyl ester, hydrochloride, Methanol, 2-pyridyl-, alpha-phenylmandelate acetate hydrochloride, MANDELIC ACID, alpha-PHENYL-, 2-PYRIDYLMETHYL ESTER, ACETATE, HYDROCHLORIDE, pyridin-1-ium-2-ylmethyl 2-acetyloxy-2,2-diphenylacetate chloride, (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1)
| Molecular Formula | C22H20ClNO4 |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 0.05 |
| Topological Polar Surface Area | 66.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.1081 |
| Heavy Atoms | 28 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 42023-72-3 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=CC=CC=[NH+]3.[Cl-] |
| InChIKey | WFXMXUQTKASDSI-UHFFFAOYSA-N |
Product Overview
(Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1) (CAS 42023-72-3), with molecular formula C22H20ClNO4 and molecular weight 397.11 g/mol. IUPAC: pyridin-1-ium-2-ylmethyl 2-acetyloxy-2,2-diphenylacetate chloride.
Chemical Property Profile of (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1)
Property Insights of (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1)
The XLogP value of 0.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1). The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 5 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 (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1)?
The CAS number of (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1) is 42023-72-3.
What is the molecular formula of (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1)?
The molecular formula of (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1) is C22H20ClNO4.
What is the molecular weight of (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1)?
The molecular weight of (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1) is 397.11 g/mol.
Where can I buy (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1)?
You can request a quote for (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.