吡咯他尼
TL;DR: 吡咯他尼 (CAS 55837-27-9) is a chemical compound with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡咯他尼
4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
Also Known As: piretanide, Arelix, Tauliz, Arlix, Piretanidum
| Molecular Formula | C17H18N2O5S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.09363 |
| Heavy Atoms | 25 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 55837-27-9 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3 |
| InChIKey | UJEWTUDSLQGTOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡咯他尼 (CAS 55837-27-9), with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol. IUPAC: 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid.
Chemical Property Profile of 吡咯他尼
Property Insights of 吡咯他尼
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡咯他尼. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 吡咯他尼. Following Lipinski's Rule of Five, 吡咯他尼 has 2 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 吡咯他尼?
The CAS number of 吡咯他尼 is 55837-27-9.
What is the molecular formula of 吡咯他尼?
The molecular formula of 吡咯他尼 is C17H18N2O5S.
What is the molecular weight of 吡咯他尼?
The molecular weight of 吡咯他尼 is 362.09 g/mol.
Where can I buy 吡咯他尼?
You can request a quote for 吡咯他尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡咯他尼?
Yes, KEHONG BIO provides custom synthesis services for 吡咯他尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.