5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester
TL;DR: 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester (CAS 64678-04-2) is a chemical compound with molecular formula C17H19ClN2O3 and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-chloro-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-5-yl]acetate
Also Known As: 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester, 5-25-06-00327 (Beilstein Handbook Reference), 6-Chloro-2-(4-methoxybenzyl)-4-methyl-5-pyrimidineacetic acid ethyl ester, Ethyl {4-chloro-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-5-yl}acetate, ethyl 2-[4-chloro-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-5-yl]acetate
| Molecular Formula | C17H19ClN2O3 |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 3.14342 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.10843 |
| Heavy Atoms | 23 |
| Complexity | 663.733 |
Chemical Identifiers
| CAS Number | 64678-04-2 |
|---|---|
| SMILES | CCOC(=O)CC1=C(N=C(N=C1Cl)CC2=CC=C(C=C2)OC)C |
Product Overview
5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester (CAS 64678-04-2), with molecular formula C17H19ClN2O3 and molecular weight 334.11 g/mol. IUPAC: ethyl 2-[4-chloro-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-5-yl]acetate.
Chemical Property Profile of 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester
Property Insights of 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester
The XLogP value of 3.14342 indicates that 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester. Following Lipinski's Rule of Five, 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester has 0 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 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester?
The CAS number of 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester is 64678-04-2.
What is the molecular formula of 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester?
The molecular formula of 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester is C17H19ClN2O3.
What is the molecular weight of 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester?
The molecular weight of 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester is 334.11 g/mol.
Where can I buy 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester?
You can request a quote for 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrimidineacetic acid, 6-chloro-2-(4-methoxybenzyl)-4-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.