EINECS 289-353-1
TL;DR: EINECS 289-353-1 (CAS 87849-05-6) is a chemical compound with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-[6-[1-hydroxy-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]prop-2-enoate
Also Known As: EINECS 289-353-1, 3-pyrrolidino-1-p-tolyl-propan-1-one, Methyl (E)-3-(6-(1-hydroxy-1-(4-methylphenyl)-3-(1-pyrrolidinyl)propyl)-2-pyridyl)acrylate, methyl -3-[6-[1-hydroxy-1-3- propyl]-2-pyridyl]acrylate, methyl -3-[6-[1-hydroxy-1- -3- propyl]-2-pyridyl]acrylate
| Molecular Formula | C23H28N2O3 |
|---|---|
| Molecular Weight | 380.21 g/mol |
| LogP | 3.29802 |
| Topological Polar Surface Area | 62.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.21 |
| Heavy Atoms | 28 |
| Complexity | 825.99603 |
Chemical Identifiers
| CAS Number | 87849-05-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CCN2CCCC2)(C3=CC=CC(=N3)/C=C/C(=O)OC)O |
Product Overview
EINECS 289-353-1 (CAS 87849-05-6), with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol. IUPAC: methyl (E)-3-[6-[1-hydroxy-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]prop-2-enoate.
Chemical Property Profile of EINECS 289-353-1
Property Insights of EINECS 289-353-1
The XLogP value of 3.29802 indicates that EINECS 289-353-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.66 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 289-353-1. Following Lipinski's Rule of Five, EINECS 289-353-1 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 EINECS 289-353-1?
The CAS number of EINECS 289-353-1 is 87849-05-6.
What is the molecular formula of EINECS 289-353-1?
The molecular formula of EINECS 289-353-1 is C23H28N2O3.
What is the molecular weight of EINECS 289-353-1?
The molecular weight of EINECS 289-353-1 is 380.21 g/mol.
Where can I buy EINECS 289-353-1?
You can request a quote for EINECS 289-353-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 289-353-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 289-353-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.