Mandarone A
TL;DR: Mandarone A (CAS 61494-73-3) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,10aR)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
Also Known As: Mandarone A, J3.164.912I, 12-Hydroxyabieta-8(14),9(11),12-triene-3,7-dione, (5R,10S)-12-Hydroxyabieta-8,11,13-triene-3,7-dione, (4aS,10aR)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 61494-73-3 |
|---|---|
| SMILES | CC(C)C1=C(C=C2C(=C1)C(=O)C[C@@H]3[C@@]2(CCC(=O)C3(C)C)C)O |
| InChIKey | VWUIHEHESVHLRX-FXAWDEMLSA-N |
Product Overview
Mandarone A (CAS 61494-73-3), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: (4aS,10aR)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione.
Chemical Property Profile of Mandarone A
Property Insights of Mandarone A
The XLogP value of 3.8 indicates that Mandarone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Mandarone A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandarone A has 1 hydrogen bond donor(s) and 3 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 Mandarone A?
The CAS number of Mandarone A is 61494-73-3.
What is the molecular formula of Mandarone A?
The molecular formula of Mandarone A is C20H26O3.
What is the molecular weight of Mandarone A?
The molecular weight of Mandarone A is 314.19 g/mol.
Where can I buy Mandarone A?
You can request a quote for Mandarone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mandarone A?
Yes, KEHONG BIO provides custom synthesis services for Mandarone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.