8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane
TL;DR: 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane (CAS 81461-72-5) is a chemical compound with molecular formula C12H19N4+ and molecular weight 219.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane
Also Known As: Spiroammonium salt [USP], Buspirone EP Impurity B, ChemDiv3_000629, Buspirone EP Impurity B (Free Base), SPIROAMMONIUM SALT [USP IMPURITY]
| Molecular Formula | C12H19N4+ |
|---|---|
| Molecular Weight | 219.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 29.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.16096 |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 81461-72-5 |
|---|---|
| SMILES | C1CC[N+]2(C1)CCN(CC2)C3=NC=CC=N3 |
| InChIKey | RCXFJYVHZBXWRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane (CAS 81461-72-5), with molecular formula C12H19N4+ and molecular weight 219.16 g/mol. IUPAC: 8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane.
Chemical Property Profile of 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane
Property Insights of 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane. With a topological polar surface area (TPSA) of 29.0 Ų, 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane has 0 hydrogen bond donor(s) and 3 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 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane?
The CAS number of 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane is 81461-72-5.
What is the molecular formula of 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane?
The molecular formula of 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane is C12H19N4+.
What is the molecular weight of 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane?
The molecular weight of 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane is 219.16 g/mol.
Where can I buy 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane?
You can request a quote for 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.