Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate
TL;DR: Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate (CAS 158532-02-6) is a chemical compound with molecular formula C12H10BrNO4 and molecular weight 310.9793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enoate
Also Known As: METHYL 3-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)-2-CYANOACRYLATE, 2-Propenoic acid, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-, methyl ester, (E)- (9CI), methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enoate, methyl (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enoate
Technical Specifications
| Molecular Formula | C12H10BrNO4 |
| Molecular Weight | 310.9793 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 79.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.9793 Da |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
| SMILES | COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)OC)Br)O |
| InChIKey | XXWJAOMZVYOUKL-FPYGCLRLSA-N |
Chemical Property Profile of Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate
Property Insights of Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate. Following Lipinski's Rule of Five, Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate?
The CAS number of Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate is 158532-02-6.
What is the molecular formula of Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate?
The molecular formula of Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate is C12H10BrNO4.
What is the molecular weight of Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate?
The molecular weight of Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate is 310.9793 g/mol.
Where can I buy Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate?
You can request a quote for Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.