甲苯磺丁脲
TL;DR: 甲苯磺丁脲 (CAS 64-77-7) is a chemical compound with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲苯磺丁脲
1-butyl-3-(4-methylphenyl)sulfonylurea
Also Known As: tolbutamide, Orinase, Diabetamid, Butamide, Arkozal
| Molecular Formula | C12H18N2O3S |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.10382 |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
| Melting Point | 262 to 128.9 °C |
| Density | 1.245 at 25.0 °C |
| Solubility | less than 1 mg/mL at 61 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 64-77-7 |
|---|---|
| SMILES | CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | JLRGJRBPOGGCBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲苯磺丁脲 (CAS 64-77-7), with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol. IUPAC: 1-butyl-3-(4-methylphenyl)sulfonylurea.
Chemical Property Profile of 甲苯磺丁脲
Property Insights of 甲苯磺丁脲
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲苯磺丁脲. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲苯磺丁脲. Following Lipinski's Rule of Five, 甲苯磺丁脲 has 2 hydrogen bond donor(s) and 3 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 甲苯磺丁脲?
The CAS number of 甲苯磺丁脲 is 64-77-7.
What is the molecular formula of 甲苯磺丁脲?
The molecular formula of 甲苯磺丁脲 is C12H18N2O3S.
What is the molecular weight of 甲苯磺丁脲?
The molecular weight of 甲苯磺丁脲 is 270.10 g/mol.
Where can I buy 甲苯磺丁脲?
You can request a quote for 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 甲苯磺丁脲?
Yes, KEHONG BIO provides custom synthesis services for 甲苯磺丁脲 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.