methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate
TL;DR: methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate (CAS 121667-91-2) is a chemical compound with molecular formula C9H8Cl2N2O2 and molecular weight 246.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate
Also Known As: (E)-methyl 3-(2,4-dichloro-6-methylpyrimidin-5-yl)acrylate, methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate, methyl (E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate
| Molecular Formula | C9H8Cl2N2O2 |
|---|---|
| Molecular Weight | 246.00 g/mol |
| LogP | 2.27802 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.99628 |
| Heavy Atoms | 15 |
| Complexity | 395.5685 |
Chemical Identifiers
| CAS Number | 121667-91-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)Cl)Cl)/C=C/C(=O)OC |
Product Overview
methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate (CAS 121667-91-2), with molecular formula C9H8Cl2N2O2 and molecular weight 246.00 g/mol. IUPAC: methyl (E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate.
Chemical Property Profile of methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate
Property Insights of methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate
The XLogP value of 2.27802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 52.08 Ų, methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate 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 methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate?
The CAS number of methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate is 121667-91-2.
What is the molecular formula of methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate?
The molecular formula of methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate is C9H8Cl2N2O2.
What is the molecular weight of methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate?
The molecular weight of methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate is 246.00 g/mol.
Where can I buy methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate?
You can request a quote for methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-3-(2,4-dichloro-6-methylpyrimidin-5-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.