Ptaeroxylin
TL;DR: Ptaeroxylin (CAS 14729-11-4) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2,8-dimethyl-6,9-dihydropyrano[3,2-h][1]benzoxepin-4-one
Also Known As: PTAEROXYLIN, Desoxykarenin, Pteroxylin, Spectrum2_000283, Spectrum3_000092
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.68822 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 752.8101 |
Chemical Identifiers
| CAS Number | 14729-11-4 |
|---|---|
| SMILES | CC1=CCC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1 |
Product Overview
Ptaeroxylin (CAS 14729-11-4), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 5-hydroxy-2,8-dimethyl-6,9-dihydropyrano[3,2-h][1]benzoxepin-4-one.
Chemical Property Profile of Ptaeroxylin
Property Insights of Ptaeroxylin
The XLogP value of 2.68822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ptaeroxylin. With a topological polar surface area (TPSA) of 59.67 Ų, Ptaeroxylin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ptaeroxylin has 1 hydrogen bond donor(s) and 4 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 Ptaeroxylin?
The CAS number of Ptaeroxylin is 14729-11-4.
What is the molecular formula of Ptaeroxylin?
The molecular formula of Ptaeroxylin is C15H14O4.
What is the molecular weight of Ptaeroxylin?
The molecular weight of Ptaeroxylin is 258.09 g/mol.
Where can I buy Ptaeroxylin?
You can request a quote for Ptaeroxylin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ptaeroxylin?
Yes, KEHONG BIO provides custom synthesis services for Ptaeroxylin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.