Polygonal
TL;DR: Polygonal (CAS 72537-20-3) 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.
(3R,4aS,8aR)-3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
Also Known As: Polygonal, (3R,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, 2-Naphthalenecarboxaldehyde, 3,4,4a,5,6,7,8,8a-octahydro-3-hydroxy-5,5,8a-trimethyl-, (3R,4aS,8aR)-, 3,4,4aalpha,5,6,7,8,8a-Octahydro-3alpha-hydroxy-5,5,8abeta-trimethyl-2-naphthalenecarbaldehyde
| 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 | 72537-20-3 |
|---|---|
| SMILES | C[C@]12CCCC([C@@H]1C[C@H](C(=C2)C=O)O)(C)C |
| InChIKey | WJDOMTAMQVNRCX-MBNYWOFBSA-N |
Product Overview
Polygonal (CAS 72537-20-3), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: (3R,4aS,8aR)-3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde.
Chemical Property Profile of Polygonal
Property Insights of Polygonal
The XLogP value of 3.5 indicates that Polygonal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Polygonal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Polygonal 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 Polygonal?
The CAS number of Polygonal is 72537-20-3.
What is the molecular formula of Polygonal?
The molecular formula of Polygonal is C14H22O2.
What is the molecular weight of Polygonal?
The molecular weight of Polygonal is 222.16 g/mol.
Where can I buy Polygonal?
You can request a quote for Polygonal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polygonal?
Yes, KEHONG BIO provides custom synthesis services for Polygonal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.