Aminomethyltrioxsalen hydrochloride
TL;DR: Aminomethyltrioxsalen hydrochloride (CAS 86996-93-2) is a chemical compound with molecular formula C15H16ClNO3 and molecular weight 293.08 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;hydrochloride
Also Known As: Aminomethyltrioxsalen hydrochloride, 4'-Aminomethyltrioxsalen hydrochloride, Aminomethyltrioxsalen (hydrochloride), 4-Aminomethyltrioxsalen hydrochloride, Trioxsalen, 4′-Aminomethyl-, Hydrochloride
| Molecular Formula | C15H16ClNO3 |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 3.34496 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.08188 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 86996-93-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN)C.Cl |
| InChIKey | HAWQZPVGCLHOBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aminomethyltrioxsalen hydrochloride (CAS 86996-93-2), with molecular formula C15H16ClNO3 and molecular weight 293.08 g/mol. IUPAC: 3-(aminomethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one;hydrochloride.
Chemical Property Profile of Aminomethyltrioxsalen hydrochloride
Property Insights of Aminomethyltrioxsalen hydrochloride
The XLogP value of 3.34496 indicates that Aminomethyltrioxsalen hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Aminomethyltrioxsalen hydrochloride. Following Lipinski's Rule of Five, Aminomethyltrioxsalen hydrochloride has 2 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 hydrochloride?
The CAS number of Aminomethyltrioxsalen hydrochloride is 86996-93-2.
What is the molecular formula of Aminomethyltrioxsalen hydrochloride?
The molecular formula of Aminomethyltrioxsalen hydrochloride is C15H16ClNO3.
What is the molecular weight of Aminomethyltrioxsalen hydrochloride?
The molecular weight of Aminomethyltrioxsalen hydrochloride is 293.08 g/mol.
Where can I buy Aminomethyltrioxsalen hydrochloride?
You can request a quote for Aminomethyltrioxsalen hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminomethyltrioxsalen hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Aminomethyltrioxsalen hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.