4-(二甲氨磺酰)苯甲酸
TL;DR: 4-(二甲氨磺酰)苯甲酸 (CAS 1206-37-7) is a chemical compound with molecular formula C9H11NO4S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(二甲氨磺酰)苯甲酸
4-(dimethylsulfamoyl)benzoic acid
Also Known As: 4-(dimethylsulfamoyl)benzoic acid, 4-[(Dimethylamino)sulfonyl]benzoic acid, 4-(N,N-Dimethylsulfamoyl)benzoic acid, 4-Dimethylsulfamoyl-benzoic acid, p-(Dimethylsulfamoyl)benzoic acid
| Molecular Formula | C9H11NO4S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.04088 |
| Heavy Atoms | 15 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 1206-37-7 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | DGVPSAQTQGLBAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(二甲氨磺酰)苯甲酸 (CAS 1206-37-7), with molecular formula C9H11NO4S and molecular weight 229.04 g/mol. IUPAC: 4-(dimethylsulfamoyl)benzoic acid.
Chemical Property Profile of 4-(二甲氨磺酰)苯甲酸
Property Insights of 4-(二甲氨磺酰)苯甲酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(二甲氨磺酰)苯甲酸. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(二甲氨磺酰)苯甲酸. Following Lipinski's Rule of Five, 4-(二甲氨磺酰)苯甲酸 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 4-(二甲氨磺酰)苯甲酸?
The CAS number of 4-(二甲氨磺酰)苯甲酸 is 1206-37-7.
What is the molecular formula of 4-(二甲氨磺酰)苯甲酸?
The molecular formula of 4-(二甲氨磺酰)苯甲酸 is C9H11NO4S.
What is the molecular weight of 4-(二甲氨磺酰)苯甲酸?
The molecular weight of 4-(二甲氨磺酰)苯甲酸 is 229.04 g/mol.
Where can I buy 4-(二甲氨磺酰)苯甲酸?
You can request a quote for 4-(二甲氨磺酰)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-(二甲氨磺酰)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(二甲氨磺酰)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.