(2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone
TL;DR: (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone (CAS 112936-00-2) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S)-4-hydroxy-6-methoxy-2,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
Also Known As: Flossonol, J2.379.935I, (2R,4S)-4-hydroxy-6-methoxy-2,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one, (2R,4S)-4-hydroxy-6-methoxy-2,7-dimethyl-tetralin-1-one, (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 112936-00-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](C2=C(C1=O)C=C(C(=C2)OC)C)O |
| InChIKey | UCEGSXPHVOXHBN-KCJUWKMLSA-N |
Product Overview
(2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone (CAS 112936-00-2), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: (2R,4S)-4-hydroxy-6-methoxy-2,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone
Property Insights of (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone. With a topological polar surface area (TPSA) of 46.5 Ų, (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone 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 (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone?
The CAS number of (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone is 112936-00-2.
What is the molecular formula of (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone?
The molecular formula of (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone is C13H16O3.
What is the molecular weight of (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone?
The molecular weight of (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone is 220.11 g/mol.
Where can I buy (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone?
You can request a quote for (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for (2R,4S)-3,4-Dihydro-4-hydroxy-6-methoxy-2,7-dimethyl-1(2H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.