1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate)
TL;DR: 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) (CAS 24330-56-1) is a chemical compound with molecular formula C21H28O6S2 and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,3-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate
Also Known As: [3,3-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate|[3,3-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-|1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate)|3,3-Dimethyl-2-{[(4-methylbenzene-1-sulfonyl)oxy]methyl}butyl 4-methylbenzene-1-sulfonate|RefChem:219590
| Molecular Formula | C21H28O6S2 |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.13272 |
| Heavy Atoms | 29 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 24330-56-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)C(C)(C)C |
| InChIKey | OEBLYZFSZBMRJT-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) (CAS 24330-56-1), with molecular formula C21H28O6S2 and molecular weight 440.13 g/mol. IUPAC: [3,3-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate)
Property Insights of 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate)
The XLogP value of 4.9 indicates that 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) has 0 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 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate)?
The CAS number of 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) is 24330-56-1.
What is the molecular formula of 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate)?
The molecular formula of 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) is C21H28O6S2.
What is the molecular weight of 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate)?
The molecular weight of 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) is 440.13 g/mol.
Where can I buy 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate)?
You can request a quote for 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(1,1-dimethylethyl)-, 1,3-bis(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.