5-硝基-2-氨磺酰苯甲酸甲酯
TL;DR: 5-硝基-2-氨磺酰苯甲酸甲酯 (CAS 70017-22-0) is a chemical compound with molecular formula C8H8N2O6S and molecular weight 260.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-硝基-2-氨磺酰苯甲酸甲酯
methyl 5-nitro-2-sulfamoylbenzoate
Also Known As: methyl 5-nitro-2-sulfamoylbenzoate, 5-Nitro-2-sulfamoylbenzoic acid methyl ester, methyl5-nitro-2-sulfamoylbenzoate, BENZOIC ACID, 5-NITRO-2-SULFAMOYL-, METHYL ESTER, Benzoic acid,2-(aminosulfonyl)-5-nitro-, methyl ester
| Molecular Formula | C8H8N2O6S |
|---|---|
| Molecular Weight | 260.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0103 |
| Heavy Atoms | 17 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 70017-22-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N |
| InChIKey | RNHQISOXRONZMH-UHFFFAOYSA-N |
Product Overview
5-硝基-2-氨磺酰苯甲酸甲酯 (CAS 70017-22-0), with molecular formula C8H8N2O6S and molecular weight 260.01 g/mol. IUPAC: methyl 5-nitro-2-sulfamoylbenzoate.
Chemical Property Profile of 5-硝基-2-氨磺酰苯甲酸甲酯
Property Insights of 5-硝基-2-氨磺酰苯甲酸甲酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-硝基-2-氨磺酰苯甲酸甲酯. The TPSA of 141.0 Ų indicates high polarity, suggesting 5-硝基-2-氨磺酰苯甲酸甲酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-硝基-2-氨磺酰苯甲酸甲酯 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-硝基-2-氨磺酰苯甲酸甲酯?
The CAS number of 5-硝基-2-氨磺酰苯甲酸甲酯 is 70017-22-0.
What is the molecular formula of 5-硝基-2-氨磺酰苯甲酸甲酯?
The molecular formula of 5-硝基-2-氨磺酰苯甲酸甲酯 is C8H8N2O6S.
What is the molecular weight of 5-硝基-2-氨磺酰苯甲酸甲酯?
The molecular weight of 5-硝基-2-氨磺酰苯甲酸甲酯 is 260.01 g/mol.
Where can I buy 5-硝基-2-氨磺酰苯甲酸甲酯?
You can request a quote for 5-硝基-2-氨磺酰苯甲酸甲酯 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-2-氨磺酰苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基-2-氨磺酰苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.