1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide
TL;DR: 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide (CAS 134070-01-2) is a chemical compound with molecular formula C27H35IN2O2 and molecular weight 546.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-methylidene-8,8-bis(3-phenylpropyl)-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one iodide
Also Known As: 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide, 2-methyl-1-methylidene-8,8-bis(3-phenylpropyl)-4-oxa-2-aza-8-azoniaspiro[4.5]decan-3-one iodide, 3-Methyl-4-methylidene-2-oxo-8,8-bis(3-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-ium iodide, RefChem:232694
| Molecular Formula | C27H35IN2O2 |
|---|---|
| Molecular Weight | 546.17 g/mol |
| LogP | 2.2011 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.1743 |
| Heavy Atoms | 32 |
| Complexity | 844.8871 |
Chemical Identifiers
| CAS Number | 134070-01-2 |
|---|---|
| SMILES | CN1C(=C)C2(CC[N+](CC2)(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4)OC1=O.[I-] |
Product Overview
1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide (CAS 134070-01-2), with molecular formula C27H35IN2O2 and molecular weight 546.17 g/mol. IUPAC: 3-methyl-4-methylidene-8,8-bis(3-phenylpropyl)-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one iodide.
Chemical Property Profile of 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide
Property Insights of 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide
The XLogP value of 2.2011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide. With a topological polar surface area (TPSA) of 29.54 Ų, 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide?
The CAS number of 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide is 134070-01-2.
What is the molecular formula of 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide?
The molecular formula of 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide is C27H35IN2O2.
What is the molecular weight of 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide?
The molecular weight of 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide is 546.17 g/mol.
Where can I buy 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide?
You can request a quote for 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.