2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan
TL;DR: 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan (CAS 86295-62-7) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-nitro-4,4a,5,6-tetrahydrobenzo[f][1]benzofuran
Also Known As: R 7368, 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan, 5,6,7,8-Tetrahydro-3-methyl-2-nitronaphtho(2,3-b)furan, NAPHTHO(2,3-b)FURAN, 5,6,7,8-TETRAHYDRO-3-METHYL-2-NITRO-, 3-methyl-2-nitro-4,4a,5,6-tetrahydrobenzo[f][1]benzofuran
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 86295-62-7 |
|---|---|
| SMILES | CC1=C(OC2=C1CC3CCC=CC3=C2)[N+](=O)[O-] |
| InChIKey | OOBNPTFGXSPRDY-UHFFFAOYSA-N |
Product Overview
2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan (CAS 86295-62-7), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 3-methyl-2-nitro-4,4a,5,6-tetrahydrobenzo[f][1]benzofuran.
Chemical Property Profile of 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan
Property Insights of 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan
The XLogP value of 3.3 indicates that 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan has 0 hydrogen bond donor(s) and 3 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-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan?
The CAS number of 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan is 86295-62-7.
What is the molecular formula of 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan?
The molecular formula of 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan is C13H13NO3.
What is the molecular weight of 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan?
The molecular weight of 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan is 231.09 g/mol.
Where can I buy 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan?
You can request a quote for 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-3-methyl-5,6,7,8-tetrahydronaphtho(2,3-b)furan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.