羟基甲苯磺丁脲
TL;DR: 羟基甲苯磺丁脲 (CAS 5719-85-7) is a chemical compound with molecular formula C12H18N2O4S and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟基甲苯磺丁脲
1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea
Also Known As: 4-Hydroxytolbutamide, Hydroxytolbutamide, Hydroxy Tolbutamide, hydroxymethyltolbutamide, Methylhydroxytolbutamide
| Molecular Formula | C12H18N2O4S |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.09872 |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 5719-85-7 |
|---|---|
| SMILES | CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CO |
| InChIKey | SJRHYONYKZIRPM-UHFFFAOYSA-N |
Product Overview
羟基甲苯磺丁脲 (CAS 5719-85-7), with molecular formula C12H18N2O4S and molecular weight 286.10 g/mol. IUPAC: 1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea.
Chemical Property Profile of 羟基甲苯磺丁脲
Property Insights of 羟基甲苯磺丁脲
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 羟基甲苯磺丁脲. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 羟基甲苯磺丁脲. Following Lipinski's Rule of Five, 羟基甲苯磺丁脲 has 3 hydrogen bond donor(s) and 4 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 羟基甲苯磺丁脲?
The CAS number of 羟基甲苯磺丁脲 is 5719-85-7.
What is the molecular formula of 羟基甲苯磺丁脲?
The molecular formula of 羟基甲苯磺丁脲 is C12H18N2O4S.
What is the molecular weight of 羟基甲苯磺丁脲?
The molecular weight of 羟基甲苯磺丁脲 is 286.10 g/mol.
Where can I buy 羟基甲苯磺丁脲?
You can request a quote for 羟基甲苯磺丁脲 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟基甲苯磺丁脲?
Yes, KEHONG BIO provides custom synthesis services for 羟基甲苯磺丁脲 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.