2-氯-3,5-二硝基苯磺酸
TL;DR: 2-氯-3,5-二硝基苯磺酸 (CAS 4515-26-8) 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.
2-氯-3,5-二硝基苯磺酸
2-chloro-3,5-dinitrobenzenesulfonic acid
Also Known As: SaikosaponinB1, 2-chloro-3,5-dinitrobenzenesulfonic acid, 2-Chloro-3,5-dinitrobenzenesulphonic acid, 2,4-DINITROCHLOROBENZENE-6-SULFONIC ACID, 2-chloro-3,5-dinitrobenzene-1-sulfonic acid
| 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 | 4515-26-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | ODEUZCDONYETMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-3,5-二硝基苯磺酸 (CAS 4515-26-8), with molecular formula C6H3ClN2O7S and molecular weight 281.93 g/mol. IUPAC: 2-chloro-3,5-dinitrobenzenesulfonic acid.
Chemical Property Profile of 2-氯-3,5-二硝基苯磺酸
Property Insights of 2-氯-3,5-二硝基苯磺酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-3,5-二硝基苯磺酸. The TPSA of 154.0 Ų indicates high polarity, suggesting 2-氯-3,5-二硝基苯磺酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-氯-3,5-二硝基苯磺酸 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 2-氯-3,5-二硝基苯磺酸?
The CAS number of 2-氯-3,5-二硝基苯磺酸 is 4515-26-8.
What is the molecular formula of 2-氯-3,5-二硝基苯磺酸?
The molecular formula of 2-氯-3,5-二硝基苯磺酸 is C6H3ClN2O7S.
What is the molecular weight of 2-氯-3,5-二硝基苯磺酸?
The molecular weight of 2-氯-3,5-二硝基苯磺酸 is 281.93 g/mol.
Where can I buy 2-氯-3,5-二硝基苯磺酸?
You can request a quote for 2-氯-3,5-二硝基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-3,5-二硝基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-3,5-二硝基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.