pentaerythritol tetratosylate
TL;DR: pentaerythritol tetratosylate (CAS 1522-89-0) is a chemical compound with molecular formula C33H36O12S4 and molecular weight 752.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-methylphenyl)sulfonyloxy-2,2-bis[(4-methylphenyl)sulfonyloxymethyl]propyl] 4-methylbenzenesulfonate
Also Known As: pentaerythritol tetratosylate, Pentaerythrit-tetratosylat, pentaerythrol tetra(toluene-p-sulphonate), BAS 00295862, Tetra-O-4-methylphenylsulfonylpentaerythritol
| Molecular Formula | C33H36O12S4 |
|---|---|
| Molecular Weight | 752.11 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 752.10895 |
| Heavy Atoms | 49 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 1522-89-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)(COS(=O)(=O)C3=CC=C(C=C3)C)COS(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | KBTUOVZRXXHLOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
pentaerythritol tetratosylate (CAS 1522-89-0), with molecular formula C33H36O12S4 and molecular weight 752.11 g/mol. IUPAC: [3-(4-methylphenyl)sulfonyloxy-2,2-bis[(4-methylphenyl)sulfonyloxymethyl]propyl] 4-methylbenzenesulfonate.
Chemical Property Profile of pentaerythritol tetratosylate
Property Insights of pentaerythritol tetratosylate
The XLogP value of 5.7 indicates that pentaerythritol tetratosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.0 Ų indicates high polarity, suggesting pentaerythritol tetratosylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pentaerythritol tetratosylate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of pentaerythritol tetratosylate?
The CAS number of pentaerythritol tetratosylate is 1522-89-0.
What is the molecular formula of pentaerythritol tetratosylate?
The molecular formula of pentaerythritol tetratosylate is C33H36O12S4.
What is the molecular weight of pentaerythritol tetratosylate?
The molecular weight of pentaerythritol tetratosylate is 752.11 g/mol.
Where can I buy pentaerythritol tetratosylate?
You can request a quote for pentaerythritol tetratosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pentaerythritol tetratosylate?
Yes, KEHONG BIO provides custom synthesis services for pentaerythritol tetratosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.