N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide
TL;DR: N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide (CAS 100036-98-4) is a chemical compound with molecular formula C11H11BrN2O6 and molecular weight 345.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-3-(4-bromo-5-nitrofuran-2-yl)prop-2-enoyl]amino]acetate
Also Known As: Ecm-nfa, N-Ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide, ethyl 2-[[(E)-3-(4-bromo-5-nitrofuran-2-yl)prop-2-enoyl]amino]acetate, RefChem:163289
| Molecular Formula | C11H11BrN2O6 |
|---|---|
| Molecular Weight | 345.98 g/mol |
| LogP | 1.6428 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.98004 |
| Heavy Atoms | 20 |
| Complexity | 551.1083 |
Chemical Identifiers
| CAS Number | 100036-98-4 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)/C=C/C1=CC(=C(O1)[N+](=O)[O-])Br |
Product Overview
N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide (CAS 100036-98-4), with molecular formula C11H11BrN2O6 and molecular weight 345.98 g/mol. IUPAC: ethyl 2-[[(E)-3-(4-bromo-5-nitrofuran-2-yl)prop-2-enoyl]amino]acetate.
Chemical Property Profile of N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide
Property Insights of N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide
The XLogP value of 1.6428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide. Following Lipinski's Rule of Five, N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide has 1 hydrogen bond donor(s) and 6 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 N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide?
The CAS number of N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide is 100036-98-4.
What is the molecular formula of N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide?
The molecular formula of N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide is C11H11BrN2O6.
What is the molecular weight of N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide?
The molecular weight of N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide is 345.98 g/mol.
Where can I buy N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide?
You can request a quote for N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethoxycarbonylmethyl-beta-(5-nitro-4-bromo-2-furyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.