(E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate
TL;DR: (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate (CAS 488726-24-5) is a chemical compound with molecular formula C14H20ClN3O4 and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[4-[bis(2-hydroxyethyl)amino]-2-chloro-6-methylpyrimidin-5-yl]prop-2-enoate
Also Known As: (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate, ethyl (2E)-3-{4-[bis(2-hydroxyethyl)amino]-2-chloro-6-methylpyrimidin-5-yl}prop-2-enoate, ethyl (E)-3-[4-[bis(2-hydroxyethyl)amino]-2-chloro-6-methylpyrimidin-5-yl]prop-2-enoate
| Molecular Formula | C14H20ClN3O4 |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 0.80572 |
| Topological Polar Surface Area | 95.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.11423 |
| Heavy Atoms | 22 |
| Complexity | 531.0644 |
Chemical Identifiers
| CAS Number | 488726-24-5 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=C(N=C(N=C1N(CCO)CCO)Cl)C |
Product Overview
(E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate (CAS 488726-24-5), with molecular formula C14H20ClN3O4 and molecular weight 329.11 g/mol. IUPAC: ethyl (E)-3-[4-[bis(2-hydroxyethyl)amino]-2-chloro-6-methylpyrimidin-5-yl]prop-2-enoate.
Chemical Property Profile of (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate
Property Insights of (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate
The XLogP value of 0.80572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate. The TPSA of 95.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate. Following Lipinski's Rule of Five, (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate has 2 hydrogen bond donor(s) and 7 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 (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate?
The CAS number of (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate is 488726-24-5.
What is the molecular formula of (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate?
The molecular formula of (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate is C14H20ClN3O4.
What is the molecular weight of (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate?
The molecular weight of (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate is 329.11 g/mol.
Where can I buy (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate?
You can request a quote for (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3-(4-(bis(2-hydroxyethyl)amino)-2-chloro-6-methylpyrimidin-5-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.