5-氯-2,4-二硝基苯磺酸
TL;DR: 5-氯-2,4-二硝基苯磺酸 (CAS 56961-56-9) is a chemical compound with molecular formula C6H3ClN2O7S and molecular weight 281.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-2,4-二硝基苯磺酸
5-chloro-2,4-dinitrobenzenesulfonic acid
Also Known As: 5-chloro-2,4-dinitrobenzenesulfonic acid, 5-Chloro-2,4-dinitrobenzenesulphonic acid, Benzenesulfonic acid, 5-chloro-2,4-dinitro-, 5-Chloro-2,4-dinitrobenzene-1-sulfonic acid, EINECS 260-472-0
| Molecular Formula | C6H3ClN2O7S |
|---|---|
| Molecular Weight | 281.93 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.93494 |
| Heavy Atoms | 17 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 56961-56-9 |
|---|---|
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])Cl)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | CMKHZJCLDSYCNP-UHFFFAOYSA-N |
Product Overview
5-氯-2,4-二硝基苯磺酸 (CAS 56961-56-9), with molecular formula C6H3ClN2O7S and molecular weight 281.93 g/mol. IUPAC: 5-chloro-2,4-dinitrobenzenesulfonic acid.
Chemical Property Profile of 5-氯-2,4-二硝基苯磺酸
Property Insights of 5-氯-2,4-二硝基苯磺酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯-2,4-二硝基苯磺酸. The TPSA of 154.0 Ų indicates high polarity, suggesting 5-氯-2,4-二硝基苯磺酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-氯-2,4-二硝基苯磺酸 has 1 hydrogen bond donor(s) and 7 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-氯-2,4-二硝基苯磺酸?
The CAS number of 5-氯-2,4-二硝基苯磺酸 is 56961-56-9.
What is the molecular formula of 5-氯-2,4-二硝基苯磺酸?
The molecular formula of 5-氯-2,4-二硝基苯磺酸 is C6H3ClN2O7S.
What is the molecular weight of 5-氯-2,4-二硝基苯磺酸?
The molecular weight of 5-氯-2,4-二硝基苯磺酸 is 281.93 g/mol.
Where can I buy 5-氯-2,4-二硝基苯磺酸?
You can request a quote for 5-氯-2,4-二硝基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-2,4-二硝基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-2,4-二硝基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.