Aminomethyltrioxsalen
TL;DR: Aminomethyltrioxsalen (CAS 64358-50-5) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
Also Known As: Aminomethylpsoralen, Aminomethyltrioxsalen, 3H-Amt, 5-Amtp, 4'-Aminomethyl-4,5',8-trimethylpsoralen
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 64358-50-5 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN)C |
| InChIKey | WBIICVGYYRRURR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aminomethyltrioxsalen (CAS 64358-50-5), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: 3-(aminomethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one.
Chemical Property Profile of Aminomethyltrioxsalen
Property Insights of Aminomethyltrioxsalen
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aminomethyltrioxsalen. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Aminomethyltrioxsalen. Following Lipinski's Rule of Five, Aminomethyltrioxsalen 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 Aminomethyltrioxsalen?
The CAS number of Aminomethyltrioxsalen is 64358-50-5.
What is the molecular formula of Aminomethyltrioxsalen?
The molecular formula of Aminomethyltrioxsalen is C15H15NO3.
What is the molecular weight of Aminomethyltrioxsalen?
The molecular weight of Aminomethyltrioxsalen is 257.11 g/mol.
Where can I buy Aminomethyltrioxsalen?
You can request a quote for Aminomethyltrioxsalen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminomethyltrioxsalen?
Yes, KEHONG BIO provides custom synthesis services for Aminomethyltrioxsalen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.