托拉塞米
TL;DR: 托拉塞米 (CAS 56211-40-6) is a chemical compound with molecular formula C16H20N4O3S and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
托拉塞米
1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
Also Known As: Torasemide, TORSEMIDE, Demadex, Luprac, Torasemida
| Molecular Formula | C16H20N4O3S |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.1256 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
| Melting Point | 163-164 °C |
| Solubility | Soluble |
Chemical Identifiers
| CAS Number | 56211-40-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C |
| InChIKey | NGBFQHCMQULJNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
托拉塞米 (CAS 56211-40-6), with molecular formula C16H20N4O3S and molecular weight 348.13 g/mol. IUPAC: 1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea.
Chemical Property Profile of 托拉塞米
Property Insights of 托拉塞米
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 托拉塞米. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 托拉塞米. Following Lipinski's Rule of Five, 托拉塞米 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 托拉塞米?
The CAS number of 托拉塞米 is 56211-40-6.
What is the molecular formula of 托拉塞米?
The molecular formula of 托拉塞米 is C16H20N4O3S.
What is the molecular weight of 托拉塞米?
The molecular weight of 托拉塞米 is 348.13 g/mol.
Where can I buy 托拉塞米?
You can request a quote for 托拉塞米 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 托拉塞米?
Yes, KEHONG BIO provides custom synthesis services for 托拉塞米 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.