Arenarol
TL;DR: Arenarol (CAS 87764-13-4) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1S,4aS,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]benzene-1,4-diol
Also Known As: Arenarol, 2-[[(1S,4aS,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]benzene-1,4-diol, 2-{[(1S,4aS,8aR)-1,2,4a-Trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}benzene-1,4-diol
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 5.4391 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 620.26764 |
Chemical Identifiers
| CAS Number | 87764-13-4 |
|---|---|
| SMILES | CC1CC[C@]2([C@@H]([C@@]1(C)CC3=C(C=CC(=C3)O)O)CCCC2=C)C |
Product Overview
Arenarol (CAS 87764-13-4), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: 2-[[(1S,4aS,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]benzene-1,4-diol.
Chemical Property Profile of Arenarol
Property Insights of Arenarol
The XLogP value of 5.4391 indicates that Arenarol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, Arenarol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Arenarol has 2 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 Arenarol?
The CAS number of Arenarol is 87764-13-4.
What is the molecular formula of Arenarol?
The molecular formula of Arenarol is C21H30O2.
What is the molecular weight of Arenarol?
The molecular weight of Arenarol is 314.22 g/mol.
Where can I buy Arenarol?
You can request a quote for Arenarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arenarol?
Yes, KEHONG BIO provides custom synthesis services for Arenarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.