4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone
TL;DR: 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone (CAS 939-53-7) is a chemical compound with molecular formula C16H18O2 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-hydroxyphenyl)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Also Known As: 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone, J2.790.401G, 6-(4-hydroxyphenyl)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one, 4.4a.5.6.7.8-Hexahydro-6-(p-hydroxy-phenyl)-2(3H)-naphthalenon, 6-(4-hydroxyphenyl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
| Molecular Formula | C16H18O2 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.13068 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 939-53-7 |
|---|---|
| SMILES | C1CC2=CC(=O)CCC2CC1C3=CC=C(C=C3)O |
| InChIKey | XPJANFHNOXAWAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone (CAS 939-53-7), with molecular formula C16H18O2 and molecular weight 242.13 g/mol. IUPAC: 6-(4-hydroxyphenyl)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one.
Chemical Property Profile of 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone
Property Insights of 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone. With a topological polar surface area (TPSA) of 37.3 Ų, 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone has 1 hydrogen bond donor(s) and 2 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 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone?
The CAS number of 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone is 939-53-7.
What is the molecular formula of 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone?
The molecular formula of 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone is C16H18O2.
What is the molecular weight of 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone?
The molecular weight of 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone is 242.13 g/mol.
Where can I buy 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone?
You can request a quote for 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.