(4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one
TL;DR: (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one (CAS 100009-92-5) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS)-4a-[2-(dimethylamino)ethyl]-5-hydroxy-3,6-dimethoxyphenanthren-2-one
Also Known As: (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one, (4aS)-4a-(2-dimethylaminoethyl)-5-hydroxy-3,6-dimethoxy-phenanthren-2-one, (4aS)-4a-[2-(Dimethylamino)ethyl]-5-hydroxy-3,6-dimethoxyphenanthren-2(4aH)-one, (4aS)-4a-[2-(dimethylamino)ethyl]-5-hydroxy-3,6-dimethoxyphenanthren-2-one
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 100009-92-5 |
|---|---|
| SMILES | CN(C)CC[C@]12C=C(C(=O)C=C1C=CC3=C2C(=C(C=C3)OC)O)OC |
| InChIKey | PALPXQDXPRFGCV-FQEVSTJZSA-N |
Product Overview
(4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one (CAS 100009-92-5), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: (4aS)-4a-[2-(dimethylamino)ethyl]-5-hydroxy-3,6-dimethoxyphenanthren-2-one.
Chemical Property Profile of (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one
Property Insights of (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one. With a topological polar surface area (TPSA) of 59.0 Ų, (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one 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 (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one?
The CAS number of (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one is 100009-92-5.
What is the molecular formula of (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one?
The molecular formula of (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one is C20H23NO4.
What is the molecular weight of (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one?
The molecular weight of (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one is 341.16 g/mol.
Where can I buy (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one?
You can request a quote for (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one?
Yes, KEHONG BIO provides custom synthesis services for (4aS)-4a-(2-Dimethylaminoethyl)-5-hydroxy-3,6-dimethoxyphenanthren-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.