2-Methyl-3-nitro-2H-1-benzopyran
TL;DR: 2-Methyl-3-nitro-2H-1-benzopyran (CAS 40345-75-3) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-nitro-2H-chromene
Also Known As: 2-Methyl-3-nitro-2H-1-benzopyran, 2-methyl-3-nitro-2H-chromene, 2H-1-BENZOPYRAN, 2-METHYL-3-NITRO-, 4-17-00-00508 (Beilstein Handbook Reference), 2H-1-BENZOPYRAN,2-METHYL-3-NITRO
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 40345-75-3 |
|---|---|
| SMILES | CC1C(=CC2=CC=CC=C2O1)[N+](=O)[O-] |
| InChIKey | OVCYGDUUGRVRON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3-nitro-2H-1-benzopyran (CAS 40345-75-3), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 2-methyl-3-nitro-2H-chromene.
Chemical Property Profile of 2-Methyl-3-nitro-2H-1-benzopyran
Property Insights of 2-Methyl-3-nitro-2H-1-benzopyran
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-nitro-2H-1-benzopyran. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Methyl-3-nitro-2H-1-benzopyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-nitro-2H-1-benzopyran 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-Methyl-3-nitro-2H-1-benzopyran?
The CAS number of 2-Methyl-3-nitro-2H-1-benzopyran is 40345-75-3.
What is the molecular formula of 2-Methyl-3-nitro-2H-1-benzopyran?
The molecular formula of 2-Methyl-3-nitro-2H-1-benzopyran is C10H9NO3.
What is the molecular weight of 2-Methyl-3-nitro-2H-1-benzopyran?
The molecular weight of 2-Methyl-3-nitro-2H-1-benzopyran is 191.06 g/mol.
Where can I buy 2-Methyl-3-nitro-2H-1-benzopyran?
You can request a quote for 2-Methyl-3-nitro-2H-1-benzopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-nitro-2H-1-benzopyran?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-nitro-2H-1-benzopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.