(6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester
TL;DR: (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester (CAS 14273-76-8) is a chemical compound with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
Also Known As: ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate, ethyl (6-chloro-2-methyl-5-pyrimidyl)acetate, (6-CHLORO-2-METHYL-5-PYRIMIDYL)ACETIC ACID, ETHYL ESTER, 5-Pyrimidineacetic acid, 4-chloro-2-methyl-, ethyl ester, Acetic acid, (6-chloro-2-methyl-5-pyrimidyl)-, ethyl ester
| Molecular Formula | C9H11ClN2O2 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.0509 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
| Melting Point | 35-36 °C |
| Boiling Point | 108-112 °C AT 11 MM HG |
| Solubility | INSOL IN WATER; SOL IN ETHER & BENZENE |
Chemical Identifiers
| CAS Number | 14273-76-8 |
|---|---|
| SMILES | CCOC(=O)CC1=CN=C(N=C1Cl)C |
| InChIKey | UXHQKBUDSNPVJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester (CAS 14273-76-8), with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol. IUPAC: ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate.
Chemical Property Profile of (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester
Property Insights of (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester. With a topological polar surface area (TPSA) of 52.1 Ų, (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester has 0 hydrogen bond donor(s) and 4 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 (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester?
The CAS number of (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester is 14273-76-8.
What is the molecular formula of (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester?
The molecular formula of (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester is C9H11ClN2O2.
What is the molecular weight of (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester?
The molecular weight of (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester is 214.05 g/mol.
Where can I buy (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester?
You can request a quote for (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.