2-Propynoic acid, 5-nitro-2-furanyl ester
TL;DR: 2-Propynoic acid, 5-nitro-2-furanyl ester (CAS 64201-66-7) is a chemical compound with molecular formula C7H3NO5 and molecular weight 181.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitrofuran-2-yl) prop-2-ynoate
Also Known As: 5-Nitro-2-furanyl 2-propynoate, (5-nitrofuran-2-yl) prop-2-ynoate, 2-Propynoic acid, 5-nitro-2-furanyl ester, 5-NITROFURAN-2-YL PROP-2-YNOATE
| Molecular Formula | C7H3NO5 |
|---|---|
| Molecular Weight | 181.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.00113 |
| Heavy Atoms | 13 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 64201-66-7 |
|---|---|
| SMILES | C#CC(=O)OC1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | VEDQQMIEEPEJIP-UHFFFAOYSA-N |
Product Overview
2-Propynoic acid, 5-nitro-2-furanyl ester (CAS 64201-66-7), with molecular formula C7H3NO5 and molecular weight 181.00 g/mol. IUPAC: (5-nitrofuran-2-yl) prop-2-ynoate.
Chemical Property Profile of 2-Propynoic acid, 5-nitro-2-furanyl ester
Property Insights of 2-Propynoic acid, 5-nitro-2-furanyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propynoic acid, 5-nitro-2-furanyl ester. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propynoic acid, 5-nitro-2-furanyl ester. Following Lipinski's Rule of Five, 2-Propynoic acid, 5-nitro-2-furanyl ester has 0 hydrogen bond donor(s) and 5 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-Propynoic acid, 5-nitro-2-furanyl ester?
The CAS number of 2-Propynoic acid, 5-nitro-2-furanyl ester is 64201-66-7.
What is the molecular formula of 2-Propynoic acid, 5-nitro-2-furanyl ester?
The molecular formula of 2-Propynoic acid, 5-nitro-2-furanyl ester is C7H3NO5.
What is the molecular weight of 2-Propynoic acid, 5-nitro-2-furanyl ester?
The molecular weight of 2-Propynoic acid, 5-nitro-2-furanyl ester is 181.00 g/mol.
Where can I buy 2-Propynoic acid, 5-nitro-2-furanyl ester?
You can request a quote for 2-Propynoic acid, 5-nitro-2-furanyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propynoic acid, 5-nitro-2-furanyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propynoic acid, 5-nitro-2-furanyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.