alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester
TL;DR: alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester (CAS 67449-76-7) is a chemical compound with molecular formula C9H6BrNO3 and molecular weight 254.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate
Also Known As: Magnesium bisphosphinate, alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester, 3-(5-Bromo-2-furyl)-2-methoxycarbonylacrylonitrile, Prop-2-enoicacid,3- -2-cyano-,methylester, J1.036.476K
| Molecular Formula | C9H6BrNO3 |
|---|---|
| Molecular Weight | 254.95 g/mol |
| LogP | 2.12208 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.95311 |
| Heavy Atoms | 14 |
| Complexity | 413.9367 |
Chemical Identifiers
| CAS Number | 67449-76-7 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=CC=C(O1)Br)/C#N |
Product Overview
alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester (CAS 67449-76-7), with molecular formula C9H6BrNO3 and molecular weight 254.95 g/mol. IUPAC: methyl (E)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate.
Chemical Property Profile of alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester
Property Insights of alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester
The XLogP value of 2.12208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester. Following Lipinski's Rule of Five, alpha-Cyano-5-bromo-2-furanacrylic 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
Frequently Asked Questions
What is the CAS number of alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester?
The CAS number of alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester is 67449-76-7.
What is the molecular formula of alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester?
The molecular formula of alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester is C9H6BrNO3.
What is the molecular weight of alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester?
The molecular weight of alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester is 254.95 g/mol.
Where can I buy alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester?
You can request a quote for alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.