3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1)
TL;DR: 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1) (CAS 66902-54-3) is a chemical compound with molecular formula C22H22ClNO2 and molecular weight 367.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-1-ium-4-ylpropyl 2,2-diphenylacetate chloride
Also Known As: Diphenylacetic acid 3-(4-pyridyl)propyl ester hydrochloride, ACETIC ACID, DIPHENYL-, 3-(4-PYRIDYL)PROPYL ESTER, HYDROCHLORIDE, 3-pyridin-1-ium-4-ylpropyl 2,2-diphenylacetate chloride, 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-phenyl-, 3-(4-pyridinyl)propyl ester, hydrochloride
| Molecular Formula | C22H22ClNO2 |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | 0.81 |
| Topological Polar Surface Area | 40.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 367.1339 |
| Heavy Atoms | 26 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 66902-54-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCCCC3=CC=[NH+]C=C3.[Cl-] |
| InChIKey | UYLHHMJHOKZYHU-UHFFFAOYSA-N |
Product Overview
3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1) (CAS 66902-54-3), with molecular formula C22H22ClNO2 and molecular weight 367.13 g/mol. IUPAC: 3-pyridin-1-ium-4-ylpropyl 2,2-diphenylacetate chloride.
Chemical Property Profile of 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1)
Property Insights of 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1)
The XLogP value of 0.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 40.4 Ų, 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyridin-4-yl)propyl diphenylacetate--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
Frequently Asked Questions
What is the CAS number of 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1)?
The CAS number of 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1) is 66902-54-3.
What is the molecular formula of 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1)?
The molecular formula of 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1) is C22H22ClNO2.
What is the molecular weight of 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1)?
The molecular weight of 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1) is 367.13 g/mol.
Where can I buy 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1)?
You can request a quote for 3-(Pyridin-4-yl)propyl diphenylacetate--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 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.