RefChem:1073792
TL;DR: RefChem:1073792 (CAS 83546-47-8) is a chemical compound with molecular formula C11H18ClN5OS2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,4-dithia-8-azoniaspiro[4.5]decan-8-yl)-3-hydroxy-2-iminopyrimidin-4-amine chloride
Also Known As: 1,4-Dithia-8-azaspiro(4.5)decane, 8-(2,6-diamino-4-pyrimidinyl)-, 1'-oxide, hydrochloride, 6-(1,4-dithia-8-azoniaspiro[4.5]decan-8-yl)-3-hydroxy-2-iminopyrimidin-4-amine chloride, 8-(2,6-Diamino-4-pyrimidinyl)-1,4-dithia-8-azaspiro(4.5)decane 1'-oxide hydrochloride, 6-Amino-4-(1,4-dithia-8-azaspiro(4.5)decan-8-yl)-2-iminopyrimidin-1(2H)-ol--hydrogen chloride (1/1), RefChem:1073792
| Molecular Formula | C11H18ClN5OS2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | -3.33 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.06412 |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 83546-47-8 |
|---|---|
| SMILES | C1C[NH+](CCC12SCCS2)C3=NC(=N)N(C(=C3)N)O.[Cl-] |
| InChIKey | FNBAFXCMPBYMLN-UHFFFAOYSA-N |
Product Overview
RefChem:1073792 (CAS 83546-47-8), with molecular formula C11H18ClN5OS2 and molecular weight 335.06 g/mol. IUPAC: 6-(1,4-dithia-8-azoniaspiro[4.5]decan-8-yl)-3-hydroxy-2-iminopyrimidin-4-amine chloride.
Chemical Property Profile of RefChem:1073792
Property Insights of RefChem:1073792
The XLogP value of -3.33 indicates that RefChem:1073792 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting RefChem:1073792 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1073792 has 4 hydrogen bond donor(s) and 6 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 RefChem:1073792?
The CAS number of RefChem:1073792 is 83546-47-8.
What is the molecular formula of RefChem:1073792?
The molecular formula of RefChem:1073792 is C11H18ClN5OS2.
What is the molecular weight of RefChem:1073792?
The molecular weight of RefChem:1073792 is 335.06 g/mol.
Where can I buy RefChem:1073792?
You can request a quote for RefChem:1073792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073792?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.