RefChem:232780
TL;DR: RefChem:232780 (CAS 85540-58-5) is a chemical compound with molecular formula C16H26ClNO4 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-(8-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-9-carbonyl)oxypropyl]azanium chloride
Also Known As: N-Dimethylaminopropyl oxycarbonyle-3 spirolactone chlorhydrate [French], N-Dimethylaminopropyl oxycarbonyle-3 spirolactone chlorhydrate, 1-Oxaspiro(4.5)dec-3-ene-4-carboxylic acid, 3-methyl-2-oxo-, 3-(dimethylamino)propyl ester, hydrochloride, dimethyl-[3-(8-methyl-9-oxo-10-oxaspiro[4.5]dec-7-ene-7-carbonyl)oxypropyl]azanium chloride, RefChem:232780
| Molecular Formula | C16H26ClNO4 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | -2.36 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.15503 |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 85540-58-5 |
|---|---|
| SMILES | CC1=C(CC2(CCCC2)OC1=O)C(=O)OCCC[NH+](C)C.[Cl-] |
| InChIKey | GGSUOOJXTGGMFL-UHFFFAOYSA-N |
Product Overview
RefChem:232780 (CAS 85540-58-5), with molecular formula C16H26ClNO4 and molecular weight 331.16 g/mol. IUPAC: dimethyl-[3-(8-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-9-carbonyl)oxypropyl]azanium chloride.
Chemical Property Profile of RefChem:232780
Property Insights of RefChem:232780
The XLogP value of -2.36 indicates that RefChem:232780 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:232780 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:232780 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:232780?
The CAS number of RefChem:232780 is 85540-58-5.
What is the molecular formula of RefChem:232780?
The molecular formula of RefChem:232780 is C16H26ClNO4.
What is the molecular weight of RefChem:232780?
The molecular weight of RefChem:232780 is 331.16 g/mol.
Where can I buy RefChem:232780?
You can request a quote for RefChem:232780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:232780?
Yes, KEHONG BIO provides custom synthesis services for RefChem:232780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.