![2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol structure](/static/products/964/96403-92-8.png)
2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol
TL;DR: 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol (CAS 96403-92-8) 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-methyl-2-(pyren-1-ylmethylamino)propane-1,3-diol
Also Known As: 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol, 2-methyl-2-(pyren-1-ylmethylamino)propane-1,3-diol, 1-[1,1-Bis(hydroxymethyl)ethylaminomethyl]pyrene
| Molecular Formula | C21H21NO2 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 3.4169 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.15723 |
| Heavy Atoms | 24 |
| Complexity | 988.88367 |
Chemical Identifiers
| CAS Number | 96403-92-8 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
Product Overview
2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol (CAS 96403-92-8), with molecular formula C21H21NO2 and molecular weight 319.16 g/mol. IUPAC: 2-methyl-2-(pyren-1-ylmethylamino)propane-1,3-diol.
Chemical Property Profile of 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol
Property Insights of 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol
The XLogP value of 3.4169 indicates that 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.49 Ų, 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol 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 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol?
The CAS number of 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol is 96403-92-8.
What is the molecular formula of 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol?
The molecular formula of 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol is C21H21NO2.
What is the molecular weight of 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol?
The molecular weight of 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol is 319.16 g/mol.
Where can I buy 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol?
You can request a quote for 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-{[(pyren-1-yl)methyl]amino}propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.