Carboxytolbutamide
TL;DR: Carboxytolbutamide (CAS 6945-01-3) is a chemical compound with molecular formula C12H16N2O5S and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(butylcarbamoylsulfamoyl)benzoic acid
Also Known As: Carboxytolbutamide, 4-Carboxy Tolbutamide, Carboxycarbutamide, Tolbutamide carboxylic acid, 4-(N-(Butylcarbamoyl)sulfamoyl)benzoic acid
| Molecular Formula | C12H16N2O5S |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.078 |
| Heavy Atoms | 20 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 6945-01-3 |
|---|---|
| SMILES | CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | GCMVATDSSHTCOS-UHFFFAOYSA-N |
Product Overview
Carboxytolbutamide (CAS 6945-01-3), with molecular formula C12H16N2O5S and molecular weight 300.08 g/mol. IUPAC: 4-(butylcarbamoylsulfamoyl)benzoic acid.
Chemical Property Profile of Carboxytolbutamide
Property Insights of Carboxytolbutamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carboxytolbutamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carboxytolbutamide. Following Lipinski's Rule of Five, Carboxytolbutamide has 3 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 Carboxytolbutamide?
The CAS number of Carboxytolbutamide is 6945-01-3.
What is the molecular formula of Carboxytolbutamide?
The molecular formula of Carboxytolbutamide is C12H16N2O5S.
What is the molecular weight of Carboxytolbutamide?
The molecular weight of Carboxytolbutamide is 300.08 g/mol.
Where can I buy Carboxytolbutamide?
You can request a quote for Carboxytolbutamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carboxytolbutamide?
Yes, KEHONG BIO provides custom synthesis services for Carboxytolbutamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.