2-甲基-5-硝基苯磺酸
TL;DR: 2-甲基-5-硝基苯磺酸 (CAS 121-03-9) is a chemical compound with molecular formula C7H7NO5S and molecular weight 217.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-5-硝基苯磺酸
2-methyl-5-nitrobenzenesulfonic acid
Also Known As: 2-METHYL-5-NITROBENZENESULFONIC ACID, Pntos, p-Nitrotoluene-o-sulfonic acid, 4-Nitrotoluene-2-sulfonic acid, 5-Nitro-o-toluenesulfonic acid
| Molecular Formula | C7H7NO5S |
|---|---|
| Molecular Weight | 217.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.00449 |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
| Melting Point | 133.5 °C |
| Solubility | VERY SOL IN WATER, ALCOHOL, ETHER, CHLOROFORM |
| Flash Point | Flash point > 133 °C |
Chemical Identifiers
| CAS Number | 121-03-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O |
| InChIKey | ZDTXQHVBLWYPHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-5-硝基苯磺酸 (CAS 121-03-9), with molecular formula C7H7NO5S and molecular weight 217.00 g/mol. IUPAC: 2-methyl-5-nitrobenzenesulfonic acid.
Chemical Property Profile of 2-甲基-5-硝基苯磺酸
Property Insights of 2-甲基-5-硝基苯磺酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-5-硝基苯磺酸. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-甲基-5-硝基苯磺酸. Following Lipinski's Rule of Five, 2-甲基-5-硝基苯磺酸 has 1 hydrogen bond donor(s) and 5 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-甲基-5-硝基苯磺酸?
The CAS number of 2-甲基-5-硝基苯磺酸 is 121-03-9.
What is the molecular formula of 2-甲基-5-硝基苯磺酸?
The molecular formula of 2-甲基-5-硝基苯磺酸 is C7H7NO5S.
What is the molecular weight of 2-甲基-5-硝基苯磺酸?
The molecular weight of 2-甲基-5-硝基苯磺酸 is 217.00 g/mol.
Where can I buy 2-甲基-5-硝基苯磺酸?
You can request a quote for 2-甲基-5-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-甲基-5-硝基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-5-硝基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.