4-((二丙氨基)磺酰基)-2-硝基苯甲酸
TL;DR: 4-((二丙氨基)磺酰基)-2-硝基苯甲酸 (CAS 31185-49-6) is a chemical compound with molecular formula C13H18N2O6S and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-((二丙氨基)磺酰基)-2-硝基苯甲酸
4-(dipropylsulfamoyl)-2-nitrobenzoic acid
Also Known As: 2-Nitroprobenecid, Probenecid 2-Nitro, 4-(dipropylsulfamoyl)-2-nitrobenzoic acid, 4-((Dipropylamino)sulfonyl)-2-nitrobenzoic acid, 4-[(dipropylamino)sulfonyl]-2-nitroBenzoic acid
| Molecular Formula | C13H18N2O6S |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.08856 |
| Heavy Atoms | 22 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 31185-49-6 |
|---|---|
| SMILES | CCCN(CCC)S(=O)(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | QVUYRWCZUQUOMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((二丙氨基)磺酰基)-2-硝基苯甲酸 (CAS 31185-49-6), with molecular formula C13H18N2O6S and molecular weight 330.09 g/mol. IUPAC: 4-(dipropylsulfamoyl)-2-nitrobenzoic acid.
Chemical Property Profile of 4-((二丙氨基)磺酰基)-2-硝基苯甲酸
Property Insights of 4-((二丙氨基)磺酰基)-2-硝基苯甲酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((二丙氨基)磺酰基)-2-硝基苯甲酸. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((二丙氨基)磺酰基)-2-硝基苯甲酸. Following Lipinski's Rule of Five, 4-((二丙氨基)磺酰基)-2-硝基苯甲酸 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 4-((二丙氨基)磺酰基)-2-硝基苯甲酸?
The CAS number of 4-((二丙氨基)磺酰基)-2-硝基苯甲酸 is 31185-49-6.
What is the molecular formula of 4-((二丙氨基)磺酰基)-2-硝基苯甲酸?
The molecular formula of 4-((二丙氨基)磺酰基)-2-硝基苯甲酸 is C13H18N2O6S.
What is the molecular weight of 4-((二丙氨基)磺酰基)-2-硝基苯甲酸?
The molecular weight of 4-((二丙氨基)磺酰基)-2-硝基苯甲酸 is 330.09 g/mol.
Where can I buy 4-((二丙氨基)磺酰基)-2-硝基苯甲酸?
You can request a quote for 4-((二丙氨基)磺酰基)-2-硝基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((二丙氨基)磺酰基)-2-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-((二丙氨基)磺酰基)-2-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.