8-Azapsoralen
TL;DR: 8-Azapsoralen (CAS 16519-20-3) is a chemical compound with molecular formula C10H5NO3 and molecular weight 187.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8,10-pentaen-12-one
Also Known As: 8-Azapsoralen, Azapsoralen, 7h-furo[2,3-b]pyrano[3,2-e]pyridin-7-one, 4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8,10-pentaen-12-one, RefChem:106919
| Molecular Formula | C10H5NO3 |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.02695 |
| Heavy Atoms | 14 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 16519-20-3 |
|---|---|
| SMILES | C1=CC(=O)OC2=NC3=C(C=CO3)C=C21 |
| InChIKey | GYEDUQJCKFXZAI-UHFFFAOYSA-N |
Product Overview
8-Azapsoralen (CAS 16519-20-3), with molecular formula C10H5NO3 and molecular weight 187.03 g/mol. IUPAC: 4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8,10-pentaen-12-one.
Chemical Property Profile of 8-Azapsoralen
Property Insights of 8-Azapsoralen
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Azapsoralen. With a topological polar surface area (TPSA) of 52.3 Ų, 8-Azapsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Azapsoralen has 0 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 8-Azapsoralen?
The CAS number of 8-Azapsoralen is 16519-20-3.
What is the molecular formula of 8-Azapsoralen?
The molecular formula of 8-Azapsoralen is C10H5NO3.
What is the molecular weight of 8-Azapsoralen?
The molecular weight of 8-Azapsoralen is 187.03 g/mol.
Where can I buy 8-Azapsoralen?
You can request a quote for 8-Azapsoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Azapsoralen?
Yes, KEHONG BIO provides custom synthesis services for 8-Azapsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.