6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran
TL;DR: 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran (CAS 57544-22-6) is a chemical compound with molecular formula C16H11BrClNO4 and molecular weight 394.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-chromene
Also Known As: 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran, 6-bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-chromene, 5-17-04-00590 (Beilstein Handbook Reference), 2H-1-BENZOPYRAN, 6-BROMO-2-(4-CHLOROPHENYL)-8-METHOXY-3-NITRO-, BRN 1398809
| Molecular Formula | C16H11BrClNO4 |
|---|---|
| Molecular Weight | 394.96 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.956 |
| Heavy Atoms | 23 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 57544-22-6 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)Br |
| InChIKey | BXDMTVKECKJHAQ-UHFFFAOYSA-N |
Product Overview
6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran (CAS 57544-22-6), with molecular formula C16H11BrClNO4 and molecular weight 394.96 g/mol. IUPAC: 6-bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-chromene.
Chemical Property Profile of 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran
Property Insights of 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran
The XLogP value of 4.8 indicates that 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran 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 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran. Following Lipinski's Rule of Five, 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran 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 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran?
The CAS number of 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran is 57544-22-6.
What is the molecular formula of 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran?
The molecular formula of 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran is C16H11BrClNO4.
What is the molecular weight of 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran?
The molecular weight of 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran is 394.96 g/mol.
Where can I buy 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran?
You can request a quote for 6-Bromo-2-(4-chlorophenyl)-8-methoxy-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 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.