Pinosylvin
TL;DR: Pinosylvin (CAS 68258-71-9) is a chemical compound with molecular formula C21H40N2O7S and molecular weight 464.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;4-methylbenzenesulfonic acid
Also Known As: Pinosylvin, N,N'-Ethylenebis(bis(2-hydroxypropyl)amine) toluene-p-sulphonate, N,N'-Ethylenebis[bis(2-hydroxypropyl)amine] toluene-p-sulfonate, 2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-, 4-methylbenzenesulfonate (1:1), 2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-, mono(4-methylbenzenesulfonate) (salt)
| Molecular Formula | C21H40N2O7S |
|---|---|
| Molecular Weight | 464.26 g/mol |
| LogP | 0.36 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 464.2556 |
| Heavy Atoms | 31 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 68258-71-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC(CN(CCN(CC(C)O)CC(C)O)CC(C)O)O |
| InChIKey | WFRGHUZWCMREIB-UHFFFAOYSA-N |
Product Overview
Pinosylvin (CAS 68258-71-9), with molecular formula C21H40N2O7S and molecular weight 464.26 g/mol. IUPAC: 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;4-methylbenzenesulfonic acid.
Chemical Property Profile of Pinosylvin
Property Insights of Pinosylvin
The XLogP value of 0.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinosylvin. The TPSA of 150.0 Ų indicates high polarity, suggesting Pinosylvin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pinosylvin has 5 hydrogen bond donor(s) and 9 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 Pinosylvin?
The CAS number of Pinosylvin is 68258-71-9.
What is the molecular formula of Pinosylvin?
The molecular formula of Pinosylvin is C21H40N2O7S.
What is the molecular weight of Pinosylvin?
The molecular weight of Pinosylvin is 464.26 g/mol.
Where can I buy Pinosylvin?
You can request a quote for Pinosylvin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinosylvin?
Yes, KEHONG BIO provides custom synthesis services for Pinosylvin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.