![[3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate structure](/static/products/683/68381-72-6.png)
[3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate
TL;DR: [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate (CAS 68381-72-6) is a chemical compound with molecular formula C12H18O8S3 and molecular weight 386.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate
Also Known As: 1,4-bis(methylsulfonyloxy)butan-2-ylsulfonylbenzene, 1,4-Butanediol, 2-(phenylsulfonyl)-, 1,4-dimethanesulfonate, 2-(phenylsulfonyl)butane-1,4-diyl dimethanesulfonate, [3-(benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate
| Molecular Formula | C12H18O8S3 |
|---|---|
| Molecular Weight | 386.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.0164 |
| Heavy Atoms | 23 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 68381-72-6 |
|---|---|
| SMILES | CS(=O)(=O)OCCC(COS(=O)(=O)C)S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | KGDNQNLBOYTYDO-UHFFFAOYSA-N |
Product Overview
[3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate (CAS 68381-72-6), with molecular formula C12H18O8S3 and molecular weight 386.02 g/mol. IUPAC: [3-(benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate.
Chemical Property Profile of [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate
Property Insights of [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate. The TPSA of 146.0 Ų indicates high polarity, suggesting [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate has 0 hydrogen bond donor(s) and 8 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 [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate?
The CAS number of [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate is 68381-72-6.
What is the molecular formula of [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate?
The molecular formula of [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate is C12H18O8S3.
What is the molecular weight of [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate?
The molecular weight of [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate is 386.02 g/mol.
Where can I buy [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate?
You can request a quote for [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.