Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate
TL;DR: Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate (CAS 685848-79-7) is a chemical compound with molecular formula C12H10BrNO3 and molecular weight 294.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoate
Also Known As: methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate, AS-871/41928732, methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoate
| Molecular Formula | C12H10BrNO3 |
|---|---|
| Molecular Weight | 294.98 g/mol |
| LogP | 2.53768 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.9844 |
| Heavy Atoms | 17 |
| Complexity | 502.96246 |
Chemical Identifiers
| CAS Number | 685848-79-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C(=O)OC)Br |
Product Overview
Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate (CAS 685848-79-7), with molecular formula C12H10BrNO3 and molecular weight 294.98 g/mol. IUPAC: methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoate.
Chemical Property Profile of Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate
Property Insights of Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate
The XLogP value of 2.53768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate. With a topological polar surface area (TPSA) of 59.32 Ų, Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate 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 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate?
The CAS number of Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate is 685848-79-7.
What is the molecular formula of Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate?
The molecular formula of Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate is C12H10BrNO3.
What is the molecular weight of Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate?
The molecular weight of Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate is 294.98 g/mol.
Where can I buy Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate?
You can request a quote for Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.