RefChem:232779
TL;DR: RefChem:232779 (CAS 85540-57-4) is a chemical compound with molecular formula C17H28ClNO4 and molecular weight 345.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(8-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-9-carbonyl)oxyethyl]azanium chloride
Also Known As: N-Diethylamino oxycarbonyle-3 spirolactone chlorhydrate [French], N-Diethylamino oxycarbonyle-3 spirolactone chlorhydrate, 1-Oxaspiro(4.5)dec-3-ene-4-carboxylic acid, 3-methyl-2-oxo-, 2-(diethylamino)ethyl ester, hydrochloride, diethyl-[2-(8-methyl-9-oxo-10-oxaspiro[4.5]dec-7-ene-7-carbonyl)oxyethyl]azanium chloride, RefChem:232779
| Molecular Formula | C17H28ClNO4 |
|---|---|
| Molecular Weight | 345.17 g/mol |
| LogP | -1.97 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.1707 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 85540-57-4 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=C(C(=O)OC2(C1)CCCC2)C.[Cl-] |
| InChIKey | VYUVSTSLXWNFPS-UHFFFAOYSA-N |
Product Overview
RefChem:232779 (CAS 85540-57-4), with molecular formula C17H28ClNO4 and molecular weight 345.17 g/mol. IUPAC: diethyl-[2-(8-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-9-carbonyl)oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:232779
Property Insights of RefChem:232779
The XLogP value of -1.97 indicates that RefChem:232779 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.0 Ų, RefChem:232779 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:232779 has 1 hydrogen bond donor(s) and 5 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:232779?
The CAS number of RefChem:232779 is 85540-57-4.
What is the molecular formula of RefChem:232779?
The molecular formula of RefChem:232779 is C17H28ClNO4.
What is the molecular weight of RefChem:232779?
The molecular weight of RefChem:232779 is 345.17 g/mol.
Where can I buy RefChem:232779?
You can request a quote for RefChem:232779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:232779?
Yes, KEHONG BIO provides custom synthesis services for RefChem:232779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.