Xanthotoxol acetate
TL;DR: Xanthotoxol acetate (CAS 10386-19-3) is a chemical compound with molecular formula C13H8O5 and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-oxofuro[3,2-g]chromen-9-yl) acetate
Also Known As: Xanthotoxol acetate, 9-Acetoxypsoralen, 8-Acetoxypsoralene, 9-Acetoxyfuro(3,2-g)coumarin, 7H-Furo[3, 9-(acetyloxy)-
| Molecular Formula | C13H8O5 |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.03717 |
| Heavy Atoms | 18 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 10386-19-3 |
|---|---|
| SMILES | CC(=O)OC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 |
| InChIKey | LPTRRECWRHWOEU-UHFFFAOYSA-N |
Product Overview
Xanthotoxol acetate (CAS 10386-19-3), with molecular formula C13H8O5 and molecular weight 244.04 g/mol. IUPAC: (7-oxofuro[3,2-g]chromen-9-yl) acetate.
Chemical Property Profile of Xanthotoxol acetate
Property Insights of Xanthotoxol acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthotoxol acetate. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthotoxol acetate. Following Lipinski's Rule of Five, Xanthotoxol acetate has 0 hydrogen bond donor(s) and 5 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 Xanthotoxol acetate?
The CAS number of Xanthotoxol acetate is 10386-19-3.
What is the molecular formula of Xanthotoxol acetate?
The molecular formula of Xanthotoxol acetate is C13H8O5.
What is the molecular weight of Xanthotoxol acetate?
The molecular weight of Xanthotoxol acetate is 244.04 g/mol.
Where can I buy Xanthotoxol acetate?
You can request a quote for Xanthotoxol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthotoxol acetate?
Yes, KEHONG BIO provides custom synthesis services for Xanthotoxol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.