TL;DR: NAPHTHO(1,2-b)FURAN, 3-METHYL-2-NITRO- (CAS 86539-89-1) is a chemical compound with molecular formula C13H9NO3 and molecular weight 227.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2-nitrobenzo[g][1]benzofuran
Also Known As: 2-Nitro-3-methylnaphtho(1,2-b)furan, 3-Methyl-2-nitronaphtho(1,2-b)furan, NAPHTHO(1,2-b)FURAN, 3-METHYL-2-NITRO-, R 7390, 3-methyl-2-nitronaphtho[1,2-b]furan
| Molecular Formula | C13H9NO3 |
| Molecular Weight | 227.05824 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.05824 Da |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
| SMILES | CC1=C(OC2=C1C=CC3=CC=CC=C32)[N+](=O)[O-] |
| InChIKey | XABYCPUVGYGYRA-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that NAPHTHO(1,2-b)FURAN, 3-METHYL-2-NITRO- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, NAPHTHO(1,2-b)FURAN, 3-METHYL-2-NITRO- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NAPHTHO(1,2-b)FURAN, 3-METHYL-2-NITRO- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of NAPHTHO(1,2-b)FURAN, 3-METHYL-2-NITRO- is 86539-89-1.
The molecular formula of NAPHTHO(1,2-b)FURAN, 3-METHYL-2-NITRO- is C13H9NO3.
The molecular weight of NAPHTHO(1,2-b)FURAN, 3-METHYL-2-NITRO- is 227.05824 g/mol.
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