RefChem:219679
TL;DR: RefChem:219679 (CAS 96422-39-8) is a chemical compound with molecular formula C23H24ClNO2 and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol;hydrochloride
Also Known As: C23H23NO2.ClH.1/2H2O, 2-Methyl-2-((2-triphenylenylmethyl)amino)-1,3-propanediol hydrochloride, C23-H23-N-O2.Cl-H.1/2H2-O, 1,3-Propanediol, 2-methyl-2-((2-triphenylenylmethyl)amino)-, hydrochloride, hydrate (2:2:1), 2-Methyl-2-((2-triphenylenylmethyl)amino)-1,3-propanediol hydrochloride hydrate (2:2:1)
| Molecular Formula | C23H24ClNO2 |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 4.4009 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.14957 |
| Heavy Atoms | 27 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 96422-39-8 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42.Cl |
| InChIKey | XPNWCBNVAJOCQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:219679 (CAS 96422-39-8), with molecular formula C23H24ClNO2 and molecular weight 381.15 g/mol. IUPAC: 2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol;hydrochloride.
Chemical Property Profile of RefChem:219679
Property Insights of RefChem:219679
The XLogP value of 4.4009 indicates that RefChem:219679 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, RefChem:219679 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:219679 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 RefChem:219679?
The CAS number of RefChem:219679 is 96422-39-8.
What is the molecular formula of RefChem:219679?
The molecular formula of RefChem:219679 is C23H24ClNO2.
What is the molecular weight of RefChem:219679?
The molecular weight of RefChem:219679 is 381.15 g/mol.
Where can I buy RefChem:219679?
You can request a quote for RefChem:219679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219679?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.