4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one
TL;DR: 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one (CAS 7463-46-9) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one
Also Known As: 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one, 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexah, 4a-Ethyl-5,6-dimethoxy-10-(methylamino)-1,4,4a,9,10,10a-hexahydrophenanthren-3(2H)-one
| Molecular Formula | C19H27NO3 |
|---|---|
| Molecular Weight | 317.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1991 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 7463-46-9 |
|---|---|
| SMILES | CCC12CC(=O)CCC1C(CC3=C2C(=C(C=C3)OC)OC)NC |
| InChIKey | MLPDBOYYPWTDPA-UHFFFAOYSA-N |
Product Overview
4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one (CAS 7463-46-9), with molecular formula C19H27NO3 and molecular weight 317.20 g/mol. IUPAC: 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one.
Chemical Property Profile of 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one
Property Insights of 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one. With a topological polar surface area (TPSA) of 47.6 Ų, 4a-ethyl-5,6-dimethoxy-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-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one has 1 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-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one?
The CAS number of 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one is 7463-46-9.
What is the molecular formula of 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one?
The molecular formula of 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one is C19H27NO3.
What is the molecular weight of 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one?
The molecular weight of 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one is 317.20 g/mol.
Where can I buy 4a-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one?
You can request a quote for 4a-ethyl-5,6-dimethoxy-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-ethyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4a-ethyl-5,6-dimethoxy-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.