Pinselin
TL;DR: Pinselin (CAS 476-53-9) is a chemical compound with molecular formula C16H12O6 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate
Also Known As: Pinselin, Pincelin, 9H-Xanthene-1-carboxylic acid, 2,8-dihydroxy-6-methyl-9-oxo-, methyl ester, methyl 2,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate, Methyl 2,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
| Molecular Formula | C16H12O6 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.45242 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.0634 |
| Heavy Atoms | 22 |
| Complexity | 983.49005 |
Chemical Identifiers
| CAS Number | 476-53-9 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)C(=O)OC)O |
Product Overview
Pinselin (CAS 476-53-9), with molecular formula C16H12O6 and molecular weight 300.06 g/mol. IUPAC: methyl 2,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate.
Chemical Property Profile of Pinselin
Property Insights of Pinselin
The XLogP value of 2.45242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinselin. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Pinselin. Following Lipinski's Rule of Five, Pinselin has 2 hydrogen bond donor(s) and 6 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 Pinselin?
The CAS number of Pinselin is 476-53-9.
What is the molecular formula of Pinselin?
The molecular formula of Pinselin is C16H12O6.
What is the molecular weight of Pinselin?
The molecular weight of Pinselin is 300.06 g/mol.
Where can I buy Pinselin?
You can request a quote for Pinselin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinselin?
Yes, KEHONG BIO provides custom synthesis services for Pinselin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.