索喹洛尔
TL;DR: 索喹洛尔 (CAS 61563-18-6) is a chemical compound with molecular formula C12H18N4S2 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
索喹洛尔
2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate
Also Known As: PIBTU, 1,3-PBIT dihydrobromide, 1,3-pbit, Lopac-P-8227, 1,3-PB-ITU
| Molecular Formula | C12H18N4S2 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 282.0973 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 61563-18-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)CCSC(=N)N)CCSC(=N)N |
| InChIKey | YEUSLPIIQGZHQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
索喹洛尔 (CAS 61563-18-6), with molecular formula C12H18N4S2 and molecular weight 282.10 g/mol. IUPAC: 2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate.
Chemical Property Profile of 索喹洛尔
Property Insights of 索喹洛尔
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 索喹洛尔. The TPSA of 150.0 Ų indicates high polarity, suggesting 索喹洛尔 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 索喹洛尔 has 4 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 索喹洛尔?
The CAS number of 索喹洛尔 is 61563-18-6.
What is the molecular formula of 索喹洛尔?
The molecular formula of 索喹洛尔 is C12H18N4S2.
What is the molecular weight of 索喹洛尔?
The molecular weight of 索喹洛尔 is 282.10 g/mol.
Where can I buy 索喹洛尔?
You can request a quote for 索喹洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 索喹洛尔?
Yes, KEHONG BIO provides custom synthesis services for 索喹洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.