Benzene, 1-chloro-3,5-dimethoxy-2-nitro-
TL;DR: Benzene, 1-chloro-3,5-dimethoxy-2-nitro- (CAS 90-25-5) is a chemical compound with molecular formula C8H8ClNO4 and molecular weight 217.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3,5-dimethoxy-2-nitrobenzene
Also Known As: 1-Chloro-3,5-dimethoxy-2-nitrobenzene, 3,5-difluorochlorobenzene, Benzene, 1-chloro-3,5-dimethoxy-2-nitro-, 1-Chloro-2-nitro-3,5-dimethoxybenzene, 5-Chlor-4-nitro-resorcin-dimethylaether
| Molecular Formula | C8H8ClNO4 |
|---|---|
| Molecular Weight | 217.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.01419 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 90-25-5 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)Cl)[N+](=O)[O-])OC |
| InChIKey | VHLPIOGWYXZJJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-3,5-dimethoxy-2-nitro- (CAS 90-25-5), with molecular formula C8H8ClNO4 and molecular weight 217.01 g/mol. IUPAC: 1-chloro-3,5-dimethoxy-2-nitrobenzene.
Chemical Property Profile of Benzene, 1-chloro-3,5-dimethoxy-2-nitro-
Property Insights of Benzene, 1-chloro-3,5-dimethoxy-2-nitro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-chloro-3,5-dimethoxy-2-nitro-. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-chloro-3,5-dimethoxy-2-nitro-. Following Lipinski's Rule of Five, Benzene, 1-chloro-3,5-dimethoxy-2-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 Benzene, 1-chloro-3,5-dimethoxy-2-nitro-?
The CAS number of Benzene, 1-chloro-3,5-dimethoxy-2-nitro- is 90-25-5.
What is the molecular formula of Benzene, 1-chloro-3,5-dimethoxy-2-nitro-?
The molecular formula of Benzene, 1-chloro-3,5-dimethoxy-2-nitro- is C8H8ClNO4.
What is the molecular weight of Benzene, 1-chloro-3,5-dimethoxy-2-nitro-?
The molecular weight of Benzene, 1-chloro-3,5-dimethoxy-2-nitro- is 217.01 g/mol.
Where can I buy Benzene, 1-chloro-3,5-dimethoxy-2-nitro-?
You can request a quote for Benzene, 1-chloro-3,5-dimethoxy-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-3,5-dimethoxy-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-3,5-dimethoxy-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.