TL;DR: NAPHTHO(2,1-b)FURAN-7-OL, 2-NITRO-, ACETATE (ester) (CAS 86539-58-4) is a chemical compound with molecular formula C14H9NO5 and molecular weight 271.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-nitrobenzo[e][1]benzofuran-7-yl) acetate
Also Known As: 2-Nitro-7-(acetyloxy)naphtho(2,1-b)furan, R 7394, 2-Nitronaphtho(2,1-b)furan-7-ol acetate (ester), 2-Nitronaphtho[2,1-b]furan-7-yl acetate, NAPHTHO(2,1-b)FURAN-7-OL, 2-NITRO-, ACETATE (ester)
| Molecular Formula | C14H9NO5 |
| Molecular Weight | 271.04807 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.04807 Da |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)C3=C(C=C2)OC(=C3)[N+](=O)[O-] |
| InChIKey | SBYPTEFRZCCJLI-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that NAPHTHO(2,1-b)FURAN-7-OL, 2-NITRO-, ACETATE (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for NAPHTHO(2,1-b)FURAN-7-OL, 2-NITRO-, ACETATE (ester). Following Lipinski's Rule of Five, NAPHTHO(2,1-b)FURAN-7-OL, 2-NITRO-, ACETATE (ester) has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of NAPHTHO(2,1-b)FURAN-7-OL, 2-NITRO-, ACETATE (ester) is 86539-58-4.
The molecular formula of NAPHTHO(2,1-b)FURAN-7-OL, 2-NITRO-, ACETATE (ester) is C14H9NO5.
The molecular weight of NAPHTHO(2,1-b)FURAN-7-OL, 2-NITRO-, ACETATE (ester) is 271.04807 g/mol.
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