17-Hydroxy-4-methylcuran-4-ium chloride
TL;DR: 17-Hydroxy-4-methylcuran-4-ium chloride (CAS 73839-79-9) is a chemical compound with molecular formula C20H29ClN2O and molecular weight 348.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,10S,11S,12S,17S)-12-ethyl-14-methyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methanol chloride
Also Known As: Geissoschizoline chloride, Pereirin chlormethylat [German], 17-Hydroxy-4-methylcuran-4-ium chloride, 17-Hydroxy-4-methyl-16alpha-curan-4-ium chloride
| Molecular Formula | C20H29ClN2O |
|---|---|
| Molecular Weight | 348.20 g/mol |
| LogP | -0.3904 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.19684 |
| Heavy Atoms | 24 |
| Complexity | 652.28094 |
Chemical Identifiers
| CAS Number | 73839-79-9 |
|---|---|
| SMILES | CC[C@@H]1C[N+]2(CCC34[C@@H]2C[C@@H]1[C@@H]([C@@H]3NC5=CC=CC=C45)CO)C.[Cl-] |
Product Overview
17-Hydroxy-4-methylcuran-4-ium chloride (CAS 73839-79-9), with molecular formula C20H29ClN2O and molecular weight 348.20 g/mol. IUPAC: [(9S,10S,11S,12S,17S)-12-ethyl-14-methyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methanol chloride.
Chemical Property Profile of 17-Hydroxy-4-methylcuran-4-ium chloride
Property Insights of 17-Hydroxy-4-methylcuran-4-ium chloride
The XLogP value of -0.3904 indicates that 17-Hydroxy-4-methylcuran-4-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.26 Ų, 17-Hydroxy-4-methylcuran-4-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Hydroxy-4-methylcuran-4-ium chloride has 2 hydrogen bond donor(s) and 2 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 17-Hydroxy-4-methylcuran-4-ium chloride?
The CAS number of 17-Hydroxy-4-methylcuran-4-ium chloride is 73839-79-9.
What is the molecular formula of 17-Hydroxy-4-methylcuran-4-ium chloride?
The molecular formula of 17-Hydroxy-4-methylcuran-4-ium chloride is C20H29ClN2O.
What is the molecular weight of 17-Hydroxy-4-methylcuran-4-ium chloride?
The molecular weight of 17-Hydroxy-4-methylcuran-4-ium chloride is 348.20 g/mol.
Where can I buy 17-Hydroxy-4-methylcuran-4-ium chloride?
You can request a quote for 17-Hydroxy-4-methylcuran-4-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-4-methylcuran-4-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-4-methylcuran-4-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.