3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester
TL;DR: 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester (CAS 56656-97-4) is a chemical compound with molecular formula C9H6BrNO3 and molecular weight 254.95311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate
Also Known As: Magnesium bisphosphinate, prop-2-enoicacid,3-2-cyano-,methylester, 3-(5-Bromo-2-furyl)-2-methoxycarbonylacrylonitrile, methyl 3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate, 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester
Technical Specifications
| Molecular Formula | C9H6BrNO3 |
| Molecular Weight | 254.95311 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.95311 Da |
| Heavy Atoms | 14 |
| Complexity | 304.0 |
| SMILES | COC(=O)C(=CC1=CC=C(O1)Br)C#N |
| InChIKey | SEPZDRVJHMRNPK-UHFFFAOYSA-N |
Chemical Property Profile of 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester
Property Insights of 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester. Following Lipinski's Rule of Five, 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester 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
What is the CAS number of 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester?
The CAS number of 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester is 56656-97-4.
What is the molecular formula of 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester?
The molecular formula of 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester is C9H6BrNO3.
What is the molecular weight of 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester?
The molecular weight of 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester is 254.95311 g/mol.
Where can I buy 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester?
You can request a quote for 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.