1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride
TL;DR: 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride (CAS 96403-30-4) 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-methyl-2-(pyren-4-ylmethylamino)propane-1,3-diol;hydrochloride
Also Known As: 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride, 2-Methyl-2-((4-pyrenylmethyl)amino)-1,3-propanediol hydrochloride, 2-methyl-2-(pyren-4-ylmethylamino)propane-1,3-diol hydrochloride, 2-Methyl-2-{[(pyren-4-yl)methyl]amino}propane-1,3-diol--hydrogen chloride (1/1), RefChem:219683
| Molecular Formula | C21H22ClNO2 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 3.8387 |
| 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 | 96403-30-4 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3.Cl |
| InChIKey | JVXUTTMWJGREOS-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-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride (CAS 96403-30-4), with molecular formula C21H22ClNO2 and molecular weight 355.13 g/mol. IUPAC: 2-methyl-2-(pyren-4-ylmethylamino)propane-1,3-diol;hydrochloride.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride
Property Insights of 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride
The XLogP value of 3.8387 indicates that 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, 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-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, 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-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride?
The CAS number of 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride is 96403-30-4.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride?
The molecular formula of 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride is C21H22ClNO2.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride?
The molecular weight of 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride is 355.13 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride?
You can request a quote for 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, 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-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.