呋塞米
TL;DR: 呋塞米 (CAS 54-31-9) is a chemical compound with molecular formula C12H11ClN2O5S and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
呋塞米
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid
Also Known As: furosemide, Frusemide, Lasix, Furanthril, Furosemid
| Molecular Formula | C12H11ClN2O5S |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.00772 |
| Heavy Atoms | 21 |
| Complexity | 481.0 |
| Melting Point | 206.1 °C (decomposes) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 54-31-9 |
|---|---|
| SMILES | C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl |
| InChIKey | ZZUFCTLCJUWOSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
呋塞米 (CAS 54-31-9), with molecular formula C12H11ClN2O5S and molecular weight 330.01 g/mol. IUPAC: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid.
Chemical Property Profile of 呋塞米
Property Insights of 呋塞米
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 呋塞米. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 呋塞米. Following Lipinski's Rule of Five, 呋塞米 has 3 hydrogen bond donor(s) and 7 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 呋塞米?
The CAS number of 呋塞米 is 54-31-9.
What is the molecular formula of 呋塞米?
The molecular formula of 呋塞米 is C12H11ClN2O5S.
What is the molecular weight of 呋塞米?
The molecular weight of 呋塞米 is 330.01 g/mol.
Where can I buy 呋塞米?
You can request a quote for 呋塞米 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 呋塞米?
Yes, KEHONG BIO provides custom synthesis services for 呋塞米 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.