1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride
TL;DR: 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride (CAS 133550-85-3) is a chemical compound with molecular formula C21H22ClNO2 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(fluoranthen-1-ylmethylamino)-2-methylpropane-1,3-diol;hydrochloride
Also Known As: 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride, 2-((1-Fluoranthenylmethyl)amino)-2-methyl-1,3-propanediol hydrochloride, 2-(fluoranthen-1-ylmethylamino)-2-methylpropane-1,3-diol hydrochloride, 2-[(1-fluorantheneylmethyl)amino]-2-methyl-1,3-propanediol hydrochloride, 2-{[(Fluoranthen-1-yl)methyl]amino}-2-methylpropane-1,3-diol--hydrogen chloride (1/1)
| Molecular Formula | C21H22ClNO2 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 3.7419 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.1339 |
| Heavy Atoms | 25 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 133550-85-3 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=C2C3=CC=CC=C3C4=CC=CC(=C42)C=C1.Cl |
| InChIKey | WKOURSXBBKRVPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride (CAS 133550-85-3), with molecular formula C21H22ClNO2 and molecular weight 355.13 g/mol. IUPAC: 2-(fluoranthen-1-ylmethylamino)-2-methylpropane-1,3-diol;hydrochloride.
Chemical Property Profile of 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride
Property Insights of 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride
The XLogP value of 3.7419 indicates that 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride has 4 hydrogen bond donor(s) and 3 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 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride?
The CAS number of 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride is 133550-85-3.
What is the molecular formula of 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride?
The molecular formula of 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride is C21H22ClNO2.
What is the molecular weight of 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride?
The molecular weight of 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride is 355.13 g/mol.
Where can I buy 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride?
You can request a quote for 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.