5-硝基间苯二甲酰氯
TL;DR: 5-硝基间苯二甲酰氯 (CAS 13438-30-7) is a chemical compound with molecular formula C8H3Cl2NO4 and molecular weight 246.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-硝基间苯二甲酰氯
5-nitrobenzene-1,3-dicarbonyl chloride
Also Known As: 5-Nitroisophthaloyl chloride, 5-Nitroisophthaloyl dichloride, 5-nitrobenzene-1,3-dicarbonyl chloride, 5-Nitroisophthaloylchloride, 5-Nitroisopthaloyl chloride
| Molecular Formula | C8H3Cl2NO4 |
|---|---|
| Molecular Weight | 246.94 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.94391 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 13438-30-7 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)Cl)[N+](=O)[O-])C(=O)Cl |
| InChIKey | OHIVUAREQFICPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-硝基间苯二甲酰氯 (CAS 13438-30-7), with molecular formula C8H3Cl2NO4 and molecular weight 246.94 g/mol. IUPAC: 5-nitrobenzene-1,3-dicarbonyl chloride.
Chemical Property Profile of 5-硝基间苯二甲酰氯
Property Insights of 5-硝基间苯二甲酰氯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-硝基间苯二甲酰氯. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-硝基间苯二甲酰氯. Following Lipinski's Rule of Five, 5-硝基间苯二甲酰氯 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 5-硝基间苯二甲酰氯?
The CAS number of 5-硝基间苯二甲酰氯 is 13438-30-7.
What is the molecular formula of 5-硝基间苯二甲酰氯?
The molecular formula of 5-硝基间苯二甲酰氯 is C8H3Cl2NO4.
What is the molecular weight of 5-硝基间苯二甲酰氯?
The molecular weight of 5-硝基间苯二甲酰氯 is 246.94 g/mol.
Where can I buy 5-硝基间苯二甲酰氯?
You can request a quote for 5-硝基间苯二甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-硝基间苯二甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基间苯二甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.