2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate
TL;DR: 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (CAS 104500-31-4) is a chemical compound with molecular formula C22H25NO5S and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(acephenanthrylen-6-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
Also Known As: 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate, 1,3-Propanediol, 2-((6-acephenanthrylenylmethyl)amino)-2-methyl-, methanesulfonate (salt), 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt), 2-(acephenanthrylen-6-ylmethylamino)-2-methylpropane-1,3-diol; methanesulfonic acid, Methanesulfonic acid--2-{[(acephenanthrylen-6-yl)methyl]amino}-2-methylpropane-1,3-diol (1/1)
| Molecular Formula | C22H25NO5S |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 2.8137 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.14536 |
| Heavy Atoms | 29 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 104500-31-4 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=C2C=CC3=C2C(=CC=C3)C4=CC=CC=C41.CS(=O)(=O)O |
| InChIKey | MCFLZVCMIHCFAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (CAS 104500-31-4), with molecular formula C22H25NO5S and molecular weight 415.15 g/mol. IUPAC: 2-(acephenanthrylen-6-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid.
Chemical Property Profile of 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate
Property Insights of 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate
The XLogP value of 2.8137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate. Following Lipinski's Rule of Five, 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate 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 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate?
The CAS number of 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate is 104500-31-4.
What is the molecular formula of 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate?
The molecular formula of 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate is C22H25NO5S.
What is the molecular weight of 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate?
The molecular weight of 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate is 415.15 g/mol.
Where can I buy 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate?
You can request a quote for 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-Acephenanthrylenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.