Cloturin
TL;DR: Cloturin (CAS 104789-79-9) is a chemical compound with molecular formula C8H8ClN5OS and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(7H-purin-6-yl) N-(2-chloroethyl)carbamothioate
Also Known As: Cloturin, cloturine, starbld0004634, 41,42-hexol, 6-(N-(2-chloroethyl)carbamoyl)thiopurine
| Molecular Formula | C8H8ClN5OS |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.0138 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 104789-79-9 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC=N2)SC(=O)NCCCl |
| InChIKey | OQBORDVFGPUGDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cloturin (CAS 104789-79-9), with molecular formula C8H8ClN5OS and molecular weight 257.01 g/mol. IUPAC: S-(7H-purin-6-yl) N-(2-chloroethyl)carbamothioate.
Chemical Property Profile of Cloturin
Property Insights of Cloturin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cloturin. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cloturin. Following Lipinski's Rule of Five, Cloturin has 2 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 Cloturin?
The CAS number of Cloturin is 104789-79-9.
What is the molecular formula of Cloturin?
The molecular formula of Cloturin is C8H8ClN5OS.
What is the molecular weight of Cloturin?
The molecular weight of Cloturin is 257.01 g/mol.
Where can I buy Cloturin?
You can request a quote for Cloturin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cloturin?
Yes, KEHONG BIO provides custom synthesis services for Cloturin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.