2-Benzhydryl-1,3-propanediol bis(methanesulfonate)
TL;DR: 2-Benzhydryl-1,3-propanediol bis(methanesulfonate) (CAS 95316-36-2) is a chemical compound with molecular formula C18H22O6S2 and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(methylsulfonyloxymethyl)-3,3-diphenylpropyl] methanesulfonate
Also Known As: NCIOpen2_007836, 2-benzhydryl-1,3-propanediol bis(methanesulfonate), 2-Benzhydrylpropane-1,3-diyl dimethanesulfonate, 2-(diphenylmethyl)propane-1,3-diyl dimethanesulfonate, [2-(methylsulfonyloxymethyl)-3,3-diphenylpropyl] methanesulfonate
| Molecular Formula | C18H22O6S2 |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.0858 |
| Heavy Atoms | 26 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 95316-36-2 |
|---|---|
| SMILES | CS(=O)(=O)OCC(COS(=O)(=O)C)C(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | RORUJFOEXOGGSL-UHFFFAOYSA-N |
Product Overview
2-Benzhydryl-1,3-propanediol bis(methanesulfonate) (CAS 95316-36-2), with molecular formula C18H22O6S2 and molecular weight 398.09 g/mol. IUPAC: [2-(methylsulfonyloxymethyl)-3,3-diphenylpropyl] methanesulfonate.
Chemical Property Profile of 2-Benzhydryl-1,3-propanediol bis(methanesulfonate)
Property Insights of 2-Benzhydryl-1,3-propanediol bis(methanesulfonate)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzhydryl-1,3-propanediol bis(methanesulfonate). The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzhydryl-1,3-propanediol bis(methanesulfonate). Following Lipinski's Rule of Five, 2-Benzhydryl-1,3-propanediol bis(methanesulfonate) 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 2-Benzhydryl-1,3-propanediol bis(methanesulfonate)?
The CAS number of 2-Benzhydryl-1,3-propanediol bis(methanesulfonate) is 95316-36-2.
What is the molecular formula of 2-Benzhydryl-1,3-propanediol bis(methanesulfonate)?
The molecular formula of 2-Benzhydryl-1,3-propanediol bis(methanesulfonate) is C18H22O6S2.
What is the molecular weight of 2-Benzhydryl-1,3-propanediol bis(methanesulfonate)?
The molecular weight of 2-Benzhydryl-1,3-propanediol bis(methanesulfonate) is 398.09 g/mol.
Where can I buy 2-Benzhydryl-1,3-propanediol bis(methanesulfonate)?
You can request a quote for 2-Benzhydryl-1,3-propanediol bis(methanesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzhydryl-1,3-propanediol bis(methanesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzhydryl-1,3-propanediol bis(methanesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.