2H-1-Benzopyran, 2,2-dimethyl-3-nitro-
TL;DR: 2H-1-Benzopyran, 2,2-dimethyl-3-nitro- (CAS 57544-29-3) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3-nitrochromene
Also Known As: 2,2-Dimethyl-3-nitro-2H-1-benzopyran, 2,2-dimethyl-3-nitrochromene, 2,2-dimethyl-3-nitro-2H-chromene, 2H-1-BENZOPYRAN, 2,2-DIMETHYL-3-NITRO-, 5-17-02-00059 (Beilstein Handbook Reference)
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 57544-29-3 |
|---|---|
| SMILES | CC1(C(=CC2=CC=CC=C2O1)[N+](=O)[O-])C |
| InChIKey | DCZZXWWSCKHUHN-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran, 2,2-dimethyl-3-nitro- (CAS 57544-29-3), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 2,2-dimethyl-3-nitrochromene.
Chemical Property Profile of 2H-1-Benzopyran, 2,2-dimethyl-3-nitro-
Property Insights of 2H-1-Benzopyran, 2,2-dimethyl-3-nitro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran, 2,2-dimethyl-3-nitro-. With a topological polar surface area (TPSA) of 55.1 Ų, 2H-1-Benzopyran, 2,2-dimethyl-3-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran, 2,2-dimethyl-3-nitro- 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 2H-1-Benzopyran, 2,2-dimethyl-3-nitro-?
The CAS number of 2H-1-Benzopyran, 2,2-dimethyl-3-nitro- is 57544-29-3.
What is the molecular formula of 2H-1-Benzopyran, 2,2-dimethyl-3-nitro-?
The molecular formula of 2H-1-Benzopyran, 2,2-dimethyl-3-nitro- is C11H11NO3.
What is the molecular weight of 2H-1-Benzopyran, 2,2-dimethyl-3-nitro-?
The molecular weight of 2H-1-Benzopyran, 2,2-dimethyl-3-nitro- is 205.07 g/mol.
Where can I buy 2H-1-Benzopyran, 2,2-dimethyl-3-nitro-?
You can request a quote for 2H-1-Benzopyran, 2,2-dimethyl-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran, 2,2-dimethyl-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran, 2,2-dimethyl-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.