2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro-
TL;DR: 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro- (CAS 57543-95-0) is a chemical compound with molecular formula C16H12BrNO4 and molecular weight 360.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-(2-methoxyphenyl)-3-nitro-2H-chromene
Also Known As: 6-Bromo-2-(2-methoxyphenyl)-3-nitro-2H-1-benzopyran, 5-17-04-00591 (Beilstein Handbook Reference), 6-bromo-2-(2-methoxyphenyl)-3-nitro-2H-chromene, 2H-1-BENZOPYRAN, 6-BROMO-2-(2-METHOXYPHENYL)-3-NITRO-, BRN 1397437
| Molecular Formula | C16H12BrNO4 |
|---|---|
| Molecular Weight | 360.99 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.99496 |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 57543-95-0 |
|---|---|
| SMILES | COC1=CC=CC=C1C2C(=CC3=C(O2)C=CC(=C3)Br)[N+](=O)[O-] |
| InChIKey | VHWZHTFTOYZFRD-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro- (CAS 57543-95-0), with molecular formula C16H12BrNO4 and molecular weight 360.99 g/mol. IUPAC: 6-bromo-2-(2-methoxyphenyl)-3-nitro-2H-chromene.
Chemical Property Profile of 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro-
Property Insights of 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro-
The XLogP value of 4.2 indicates that 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro-. Following Lipinski's Rule of Five, 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro- has 0 hydrogen bond donor(s) and 4 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, 6-bromo-2-(2-methoxyphenyl)-3-nitro-?
The CAS number of 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro- is 57543-95-0.
What is the molecular formula of 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro-?
The molecular formula of 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro- is C16H12BrNO4.
What is the molecular weight of 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro-?
The molecular weight of 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro- is 360.99 g/mol.
Where can I buy 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro-?
You can request a quote for 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-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, 6-bromo-2-(2-methoxyphenyl)-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.