2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride
TL;DR: 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride (CAS 74427-50-2) is a chemical compound with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride
Also Known As: OKY 1555, 2-Methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid hydrochloride, 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride, (E)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride, (E)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoic acid hydrochloride
| Molecular Formula | C16H16ClNO2 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 3.5821 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.08694 |
| Heavy Atoms | 20 |
| Complexity | 591.6337 |
Chemical Identifiers
| CAS Number | 74427-50-2 |
|---|---|
| SMILES | C/C(=C\C1=CC=C(C=C1)CC2=CN=CC=C2)/C(=O)O.Cl |
Product Overview
2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride (CAS 74427-50-2), with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol. IUPAC: (E)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride.
Chemical Property Profile of 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride
Property Insights of 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride
The XLogP value of 3.5821 indicates that 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride has 1 hydrogen bond donor(s) and 2 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 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride?
The CAS number of 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride is 74427-50-2.
What is the molecular formula of 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride?
The molecular formula of 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride is C16H16ClNO2.
What is the molecular weight of 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride?
The molecular weight of 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride is 289.09 g/mol.
Where can I buy 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride?
You can request a quote for 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.