Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate
TL;DR: Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate (CAS 111655-12-0) is a chemical compound with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-tert-butyl-4-chloropyrimidin-5-yl)acetate
Also Known As: ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate, ethyl 2-(2-tert-butyl-4-chloropyrimidin-5-yl)acetate, ethyl 2-[2-(tert-butyl)-4-chloropyrimidin-5-yl]acetate, ethyl 2-[2-(1,1-dimethylethyl)-4-choropyrimidin-5-yl]acetate, 4-chloro-5-ethoxycarbonylmethyl-2-(2-methylprop-2-yl)pyrimidine
| Molecular Formula | C12H17ClN2O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 2.5331 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.09787 |
| Heavy Atoms | 17 |
| Complexity | 413.4569 |
Chemical Identifiers
| CAS Number | 111655-12-0 |
|---|---|
| SMILES | CCOC(=O)CC1=CN=C(N=C1Cl)C(C)(C)C |
Product Overview
Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate (CAS 111655-12-0), with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol. IUPAC: ethyl 2-(2-tert-butyl-4-chloropyrimidin-5-yl)acetate.
Chemical Property Profile of Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate
Property Insights of Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate
The XLogP value of 2.5331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate. With a topological polar surface area (TPSA) of 52.08 Ų, Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate 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 Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate?
The CAS number of Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate is 111655-12-0.
What is the molecular formula of Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate?
The molecular formula of Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate is C12H17ClN2O2.
What is the molecular weight of Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate?
The molecular weight of Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate is 256.10 g/mol.
Where can I buy Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate?
You can request a quote for Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-tert-butyl-4-chloro-5-pyrimidinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.