Seselin
TL;DR: Seselin (CAS 523-59-1) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,8-dimethylpyrano[2,3-f]chromen-2-one
Also Known As: Seselin, Amyrolin, Seseline, Sesalin, Pyranocoumarin deriv.
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 394.0 |
| Melting Point | 119 - 120 °C |
Chemical Identifiers
| CAS Number | 523-59-1 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C |
| InChIKey | QUVCQYQEIOLHFZ-UHFFFAOYSA-N |
Product Overview
Seselin (CAS 523-59-1), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: 8,8-dimethylpyrano[2,3-f]chromen-2-one.
Chemical Property Profile of Seselin
Property Insights of Seselin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Seselin. With a topological polar surface area (TPSA) of 35.5 Ų, Seselin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Seselin has 0 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 Seselin?
The CAS number of Seselin is 523-59-1.
What is the molecular formula of Seselin?
The molecular formula of Seselin is C14H12O3.
What is the molecular weight of Seselin?
The molecular weight of Seselin is 228.08 g/mol.
Where can I buy Seselin?
You can request a quote for Seselin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Seselin?
Yes, KEHONG BIO provides custom synthesis services for Seselin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.