1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-
TL;DR: 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl- (CAS 96403-45-1) is a chemical compound with molecular formula C21H21NO2 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(fluoranthen-8-ylmethylamino)-2-methylpropane-1,3-diol
Also Known As: 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-, 2-((8-Fluoranthenylmethyl)amino)-2-methyl-1,3-propanediol, 2-(fluoranthen-8-ylmethylamino)-2-methylpropane-1,3-diol, 2-{[(FLUORANTHEN-8-YL)METHYL]AMINO}-2-METHYLPROPANE-1,3-DIOL, 2-((fluoranthen-8-ylmethyl)amino)-2-methylpropane-1,3-diol
| Molecular Formula | C21H21NO2 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.15723 |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 96403-45-1 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=CC2=C(C=C1)C3=CC=CC4=C3C2=CC=C4 |
| InChIKey | BNZUDBQCSFCEQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl- (CAS 96403-45-1), with molecular formula C21H21NO2 and molecular weight 319.16 g/mol. IUPAC: 2-(fluoranthen-8-ylmethylamino)-2-methylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-
Property Insights of 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-. With a topological polar surface area (TPSA) of 52.5 Ų, 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl- has 3 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-((8-fluoranthenylmethyl)amino)-2-methyl-?
The CAS number of 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl- is 96403-45-1.
What is the molecular formula of 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-?
The molecular formula of 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl- is C21H21NO2.
What is the molecular weight of 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-?
The molecular weight of 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl- is 319.16 g/mol.
Where can I buy 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-?
You can request a quote for 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl- 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-((8-fluoranthenylmethyl)amino)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.