2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester
TL;DR: 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester (CAS 31145-80-9) is a chemical compound with molecular formula C10H12N2O6 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-acetamido-4-nitrofuran-2-carboxylate
Also Known As: 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester, propan-2-yl 5-acetamido-4-nitrofuran-2-carboxylate, 1-Methylethyl 5-(acetylamino)-4-nitro-2-furancarboxylate, 2-Furoic acid, 5-acetamido-4-nitro-, isopropyl ester
| Molecular Formula | C10H12N2O6 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.06955 |
| Heavy Atoms | 18 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 31145-80-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C(O1)NC(=O)C)[N+](=O)[O-] |
| InChIKey | FPOXAHIPWZTWSD-UHFFFAOYSA-N |
Product Overview
2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester (CAS 31145-80-9), with molecular formula C10H12N2O6 and molecular weight 256.07 g/mol. IUPAC: propan-2-yl 5-acetamido-4-nitrofuran-2-carboxylate.
Chemical Property Profile of 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester
Property Insights of 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester. Following Lipinski's Rule of Five, 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester 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 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester?
The CAS number of 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester is 31145-80-9.
What is the molecular formula of 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester?
The molecular formula of 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester is C10H12N2O6.
What is the molecular weight of 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester?
The molecular weight of 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester is 256.07 g/mol.
Where can I buy 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester?
You can request a quote for 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Furancarboxylic acid, 5-(acetylamino)-4-nitro-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.