RefChem:219583
TL;DR: RefChem:219583 (CAS 104500-23-4) is a chemical compound with molecular formula C24H27NO5S and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzo[a]anthracen-3-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
Also Known As: 2-((Benz(a)anthracen-3-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate, 1,3-Propanediol, 2-((benz(a)anthracen-3-ylmethyl)amino)-2-methyl-, methanesulfonate (salt), 2-((Benz(a)anthracen-3-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt), 2-(benzo[a]anthracen-3-ylmethylamino)-2-methylpropane-1,3-diol; methanesulfonic acid, Methanesulfonic acid--2-methyl-2-{[(tetraphen-3-yl)methyl]amino}propane-1,3-diol (1/1)
| Molecular Formula | C24H27NO5S |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 3.4831 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.16098 |
| Heavy Atoms | 31 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 104500-23-4 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=CC2=C(C=C1)C3=CC4=CC=CC=C4C=C3C=C2.CS(=O)(=O)O |
| InChIKey | ZTWXOIIZMMRAPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:219583 (CAS 104500-23-4), with molecular formula C24H27NO5S and molecular weight 441.16 g/mol. IUPAC: 2-(benzo[a]anthracen-3-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid.
Chemical Property Profile of RefChem:219583
Property Insights of RefChem:219583
The XLogP value of 3.4831 indicates that RefChem:219583 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:219583. Following Lipinski's Rule of Five, RefChem:219583 has 4 hydrogen bond donor(s) and 6 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:219583?
The CAS number of RefChem:219583 is 104500-23-4.
What is the molecular formula of RefChem:219583?
The molecular formula of RefChem:219583 is C24H27NO5S.
What is the molecular weight of RefChem:219583?
The molecular weight of RefChem:219583 is 441.16 g/mol.
Where can I buy RefChem:219583?
You can request a quote for RefChem:219583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219583?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.