4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one
TL;DR: 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one (CAS 10534-75-5) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one
Also Known As: 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one, 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,1, 4a-Ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,4,4a,9,10,10a-hexahydrophenanthren-3(2H)-one
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 10534-75-5 |
|---|---|
| SMILES | CNC1CC2=C(C(=C(C=C2)OC)O)C3(C1CCC(=O)C3)C=C |
| InChIKey | JKIHTQXNQNIYMN-UHFFFAOYSA-N |
Product Overview
4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one (CAS 10534-75-5), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one.
Chemical Property Profile of 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one
Property Insights of 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one. With a topological polar surface area (TPSA) of 58.6 Ų, 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one has 2 hydrogen bond donor(s) and 4 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 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one?
The CAS number of 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one is 10534-75-5.
What is the molecular formula of 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one?
The molecular formula of 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one is C18H23NO3.
What is the molecular weight of 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one?
The molecular weight of 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one is 301.17 g/mol.
Where can I buy 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one?
You can request a quote for 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4a-ethenyl-5-hydroxy-6-methoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.