(4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one
TL;DR: (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one (CAS 3810-52-4) is a chemical compound with molecular formula C20H26O2 and molecular weight 298.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS)-7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
Also Known As: Totarol deriv, 13-Hydroxytotara-5,8,11,13-tetraen-7-one, 13-Hydroxy-14-isopropylpodocarpa-5,8,11,13-tetren-7-one, Podocarpa-5,8,11,13-tetraen-7-one, 13-hydroxy-14-isopropyl-, (4aS)-7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
| Molecular Formula | C20H26O2 |
|---|---|
| Molecular Weight | 298.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.19327 |
| Heavy Atoms | 22 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 3810-52-4 |
|---|---|
| SMILES | CC(C)C1=C(C=CC2=C1C(=O)C=C3[C@@]2(CCCC3(C)C)C)O |
| InChIKey | SVABNMWRHDKIKG-HXUWFJFHSA-N |
Product Overview
(4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one (CAS 3810-52-4), with molecular formula C20H26O2 and molecular weight 298.19 g/mol. IUPAC: (4aS)-7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one.
Chemical Property Profile of (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one
Property Insights of (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one
The XLogP value of 5.4 indicates that (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one?
The CAS number of (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one is 3810-52-4.
What is the molecular formula of (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one?
The molecular formula of (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one is C20H26O2.
What is the molecular weight of (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one?
The molecular weight of (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one is 298.19 g/mol.
Where can I buy (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one?
You can request a quote for (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one?
Yes, KEHONG BIO provides custom synthesis services for (4aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.