RefChem:1060226
TL;DR: RefChem:1060226 (CAS 83540-22-1) is a chemical compound with molecular formula C14H25Cl2N5O and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-azoniaspiro[5.5]undecan-3-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine dichloride
Also Known As: 3-Azaspiro(5.5)undecane, 3-(2,6-diamino-4-pyrimidinyl)-, 1'-oxide, dihydrochloride, 3-(2,6-Diamino-4-pyrimidinyl)-3-azaspiro(5.5)undecane 1'-oxide dihydrochloride, 6-(3-Azoniaspiro[5.5]undecan-3-yl)-3-hydroxypyrimidin-3-ium-2,4-diaminedichloride, 6-(9-azoniaspiro[5.5]undecan-9-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine dichloride, 2,6-Diamino-4-(3-azaspiro(5.5)undecan-3-yl)-1-hydroxypyrimidin-1-ium chloride--hydrogen chloride (1/1/1)
| Molecular Formula | C14H25Cl2N5O |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | -5.96 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.14362 |
| Heavy Atoms | 22 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 83540-22-1 |
|---|---|
| SMILES | C1CCC2(CC1)CC[NH+](CC2)C3=NC(=[N+](C(=C3)N)O)N.[Cl-].[Cl-] |
| InChIKey | MDHWHIDAOVODEM-UHFFFAOYSA-N |
Product Overview
RefChem:1060226 (CAS 83540-22-1), with molecular formula C14H25Cl2N5O and molecular weight 349.14 g/mol. IUPAC: 6-(3-azoniaspiro[5.5]undecan-3-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine dichloride.
Chemical Property Profile of RefChem:1060226
Property Insights of RefChem:1060226
The XLogP value of -5.96 indicates that RefChem:1060226 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1060226. Following Lipinski's Rule of Five, RefChem:1060226 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:1060226?
The CAS number of RefChem:1060226 is 83540-22-1.
What is the molecular formula of RefChem:1060226?
The molecular formula of RefChem:1060226 is C14H25Cl2N5O.
What is the molecular weight of RefChem:1060226?
The molecular weight of RefChem:1060226 is 349.14 g/mol.
Where can I buy RefChem:1060226?
You can request a quote for RefChem:1060226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060226?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.