Isopolygonal
TL;DR: Isopolygonal (CAS 98204-83-2) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aS,8aR)-3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
Also Known As: Isopolygonal, (+)-Isopolygonal, (3S,4aS,8aR)-3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde, (3R,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde, 3-Hydroxy-5,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 98204-83-2 |
|---|---|
| SMILES | C[C@]12CCCC([C@@H]1C[C@@H](C(=C2)C=O)O)(C)C |
| InChIKey | WJDOMTAMQVNRCX-SGMGOOAPSA-N |
Product Overview
Isopolygonal (CAS 98204-83-2), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: (3S,4aS,8aR)-3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde.
Chemical Property Profile of Isopolygonal
Property Insights of Isopolygonal
The XLogP value of 3.5 indicates that Isopolygonal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Isopolygonal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopolygonal 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 Isopolygonal?
The CAS number of Isopolygonal is 98204-83-2.
What is the molecular formula of Isopolygonal?
The molecular formula of Isopolygonal is C14H22O2.
What is the molecular weight of Isopolygonal?
The molecular weight of Isopolygonal is 222.16 g/mol.
Where can I buy Isopolygonal?
You can request a quote for Isopolygonal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopolygonal?
Yes, KEHONG BIO provides custom synthesis services for Isopolygonal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.