Ptaeroglycol
TL;DR: Ptaeroglycol (CAS 18836-12-9) is a chemical compound with molecular formula C15H14O6 and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-dihydroxy-8-(hydroxymethyl)-2-methyl-9H-pyrano[3,2-h][1]benzoxepin-4-one
Also Known As: Ptaeroglycol, Pteroglycol, 5,8-dihydroxy-8-(hydroxymethyl)-2-methyl-9H-pyrano[3,2-h][1]benzoxepin-4-one, 8,9-Dihydro-5,8-dihydroxy-8-hydroxymethyl-2-methyl-4H-pyrano[3,2-h][1]benzoxepin-4-one, 5,8-dihydroxy-8-(hydroxymethyl)-2-methyl-4H,8H,9H-oxepino[3,2-g]chromen-4-one
| Molecular Formula | C15H14O6 |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.07904 |
| Heavy Atoms | 21 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 18836-12-9 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C3=C(C=C2O1)OCC(C=C3)(CO)O)O |
| InChIKey | IVVDHMXDSFGHMC-UHFFFAOYSA-N |
Product Overview
Ptaeroglycol (CAS 18836-12-9), with molecular formula C15H14O6 and molecular weight 290.08 g/mol. IUPAC: 5,8-dihydroxy-8-(hydroxymethyl)-2-methyl-9H-pyrano[3,2-h][1]benzoxepin-4-one.
Chemical Property Profile of Ptaeroglycol
Property Insights of Ptaeroglycol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ptaeroglycol. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ptaeroglycol. Following Lipinski's Rule of Five, Ptaeroglycol has 3 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 Ptaeroglycol?
The CAS number of Ptaeroglycol is 18836-12-9.
What is the molecular formula of Ptaeroglycol?
The molecular formula of Ptaeroglycol is C15H14O6.
What is the molecular weight of Ptaeroglycol?
The molecular weight of Ptaeroglycol is 290.08 g/mol.
Where can I buy Ptaeroglycol?
You can request a quote for Ptaeroglycol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ptaeroglycol?
Yes, KEHONG BIO provides custom synthesis services for Ptaeroglycol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.