2,6,7-Trimethyl-3-nitro-2H-1-benzopyran
TL;DR: 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran (CAS 57543-83-6) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,7-trimethyl-3-nitro-2H-chromene
Also Known As: 2,6,7-trimethyl-3-nitro-2H-chromene, 3-Nitro-2,6,7-trimethyl-2H-1-benzopyran, 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran, 2H-1-BENZOPYRAN, 3-NITRO-2,6,7-TRIMETHYL-, 5-17-02-00074 (Beilstein Handbook Reference)
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 57543-83-6 |
|---|---|
| SMILES | CC1C(=CC2=C(O1)C=C(C(=C2)C)C)[N+](=O)[O-] |
| InChIKey | DRQBSLQRAKLDGC-UHFFFAOYSA-N |
Product Overview
2,6,7-Trimethyl-3-nitro-2H-1-benzopyran (CAS 57543-83-6), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 2,6,7-trimethyl-3-nitro-2H-chromene.
Chemical Property Profile of 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran
Property Insights of 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran. With a topological polar surface area (TPSA) of 55.1 Ų, 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trimethyl-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 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran?
The CAS number of 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran is 57543-83-6.
What is the molecular formula of 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran?
The molecular formula of 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran is C12H13NO3.
What is the molecular weight of 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran?
The molecular weight of 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran is 219.09 g/mol.
Where can I buy 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran?
You can request a quote for 2,6,7-Trimethyl-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 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.