Pterosin N
TL;DR: Pterosin N (CAS 54797-11-4) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-3H-inden-1-one
Also Known As: Pterosin N, 2-Hexene,2-(butylthio)-,(E), 2-Hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-Dihydro-1H-inden-1-one, 2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-3H-inden-1-one, 1H-Inden-1-one, 2,3-dihydro-2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
| Melting Point | 165 - 167 °C |
Chemical Identifiers
| CAS Number | 54797-11-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1CCO)C)C(=O)C(C2)(C)O |
| InChIKey | FQLXILLXEWJGFO-UHFFFAOYSA-N |
Product Overview
Pterosin N (CAS 54797-11-4), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-3H-inden-1-one.
Chemical Property Profile of Pterosin N
Property Insights of Pterosin N
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pterosin N. With a topological polar surface area (TPSA) of 57.5 Ų, Pterosin N exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pterosin N has 2 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 Pterosin N?
The CAS number of Pterosin N is 54797-11-4.
What is the molecular formula of Pterosin N?
The molecular formula of Pterosin N is C14H18O3.
What is the molecular weight of Pterosin N?
The molecular weight of Pterosin N is 234.13 g/mol.
Where can I buy Pterosin N?
You can request a quote for Pterosin N directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pterosin N?
Yes, KEHONG BIO provides custom synthesis services for Pterosin N and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.