4-氯-3-(二乙基氨磺酰基)苯甲酸
TL;DR: 4-氯-3-(二乙基氨磺酰基)苯甲酸 (CAS 59647-93-7) is a chemical compound with molecular formula C11H14ClNO4S and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-3-(二乙基氨磺酰基)苯甲酸
4-chloro-3-(diethylsulfamoyl)benzoic acid
Also Known As: 4-chloro-3-(diethylsulfamoyl)benzoic acid, 4-Chloro-3-diethylsulfamoyl-benzoic acid, 4-chloro-3-diethylsulfamoylbenzoic acid, 4-Chloro-3-(N,N-diethylsulfamoyl)benzoic acid, BAS 00604115
| Molecular Formula | C11H14ClNO4S |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.0332 |
| Heavy Atoms | 18 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 59647-93-7 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl |
| InChIKey | OANXBFKRXPGEGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-3-(二乙基氨磺酰基)苯甲酸 (CAS 59647-93-7), with molecular formula C11H14ClNO4S and molecular weight 291.03 g/mol. IUPAC: 4-chloro-3-(diethylsulfamoyl)benzoic acid.
Chemical Property Profile of 4-氯-3-(二乙基氨磺酰基)苯甲酸
Property Insights of 4-氯-3-(二乙基氨磺酰基)苯甲酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-3-(二乙基氨磺酰基)苯甲酸. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氯-3-(二乙基氨磺酰基)苯甲酸. Following Lipinski's Rule of Five, 4-氯-3-(二乙基氨磺酰基)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-氯-3-(二乙基氨磺酰基)苯甲酸?
The CAS number of 4-氯-3-(二乙基氨磺酰基)苯甲酸 is 59647-93-7.
What is the molecular formula of 4-氯-3-(二乙基氨磺酰基)苯甲酸?
The molecular formula of 4-氯-3-(二乙基氨磺酰基)苯甲酸 is C11H14ClNO4S.
What is the molecular weight of 4-氯-3-(二乙基氨磺酰基)苯甲酸?
The molecular weight of 4-氯-3-(二乙基氨磺酰基)苯甲酸 is 291.03 g/mol.
Where can I buy 4-氯-3-(二乙基氨磺酰基)苯甲酸?
You can request a quote for 4-氯-3-(二乙基氨磺酰基)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-氯-3-(二乙基氨磺酰基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-3-(二乙基氨磺酰基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.