1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-
TL;DR: 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl- (CAS 96404-52-3) 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-3-ylmethylamino)-2-methylpropane-1,3-diol
Also Known As: 773U82 Mesylate, BW-A 773U Free Base, BW 773U82 Free Base, BW-A-773U FREE BASE, BW-A773U
| 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 | 96404-52-3 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43 |
| InChIKey | YTHQUBIKIOUZBQ-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-((3-fluoranthenylmethyl)amino)-2-methyl- (CAS 96404-52-3), with molecular formula C21H21NO2 and molecular weight 319.16 g/mol. IUPAC: 2-(fluoranthen-3-ylmethylamino)-2-methylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-
Property Insights of 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-. With a topological polar surface area (TPSA) of 52.5 Ų, 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-((3-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-((3-fluoranthenylmethyl)amino)-2-methyl-?
The CAS number of 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl- is 96404-52-3.
What is the molecular formula of 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-?
The molecular formula of 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl- is C21H21NO2.
What is the molecular weight of 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-?
The molecular weight of 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl- is 319.16 g/mol.
Where can I buy 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-?
You can request a quote for 1,3-Propanediol, 2-((3-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-((3-fluoranthenylmethyl)amino)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.