RefChem:357901
TL;DR: RefChem:357901 (CAS 1676-47-7) is a chemical compound with molecular formula C16H27IN2O2 and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,7-trimethyl-1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-3H-azepin-2-one iodide
Also Known As: 4-methyl-4-[2-(3,5,7-trimethyl-2-oxo-2,3-dihydro-1h-azepin-1-yl)ethyl]morpholin-4-ium iodide, Morpholinium, 4-(2-(1,3-dihydro-2-oxo-3,5,7-trimethyl-2H-azepin-1-yl)ethyl)-4-methyl-, iodide, 3,5,7-trimethyl-1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-3H-azepin-2-one iodide, RefChem:357901
| Molecular Formula | C16H27IN2O2 |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.11172 |
| Heavy Atoms | 21 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 1676-47-7 |
|---|---|
| SMILES | CC1C=C(C=C(N(C1=O)CC[N+]2(CCOCC2)C)C)C.[I-] |
| InChIKey | ROQJBVGADAMTFC-UHFFFAOYSA-M |
Product Overview
RefChem:357901 (CAS 1676-47-7), with molecular formula C16H27IN2O2 and molecular weight 406.11 g/mol. IUPAC: 3,5,7-trimethyl-1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-3H-azepin-2-one iodide.
Chemical Property Profile of RefChem:357901
Property Insights of RefChem:357901
The XLogP value of -1.2 indicates that RefChem:357901 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:357901 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:357901 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 RefChem:357901?
The CAS number of RefChem:357901 is 1676-47-7.
What is the molecular formula of RefChem:357901?
The molecular formula of RefChem:357901 is C16H27IN2O2.
What is the molecular weight of RefChem:357901?
The molecular weight of RefChem:357901 is 406.11 g/mol.
Where can I buy RefChem:357901?
You can request a quote for RefChem:357901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:357901?
Yes, KEHONG BIO provides custom synthesis services for RefChem:357901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.