1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate
TL;DR: 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate (CAS 4239-25-2) is a chemical compound with molecular formula C8H18O6S2 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-4-methylsulfonyloxybutyl) methanesulfonate
Also Known As: KST-1B4359, 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate, 2,2-Dimethylbutane-1,4-diyl dimethanesulfonate, 4-(methanesulfonyloxy)-2,2-dimethylbutyl methanesulfonate, (3,3-dimethyl-4-methylsulfonyloxybutyl) methanesulfonate
| Molecular Formula | C8H18O6S2 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.05447 |
| Heavy Atoms | 16 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 4239-25-2 |
|---|---|
| SMILES | CC(C)(CCOS(=O)(=O)C)COS(=O)(=O)C |
| InChIKey | FYDHEWUHCUQWHP-UHFFFAOYSA-N |
Product Overview
1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate (CAS 4239-25-2), with molecular formula C8H18O6S2 and molecular weight 274.05 g/mol. IUPAC: (3,3-dimethyl-4-methylsulfonyloxybutyl) methanesulfonate.
Chemical Property Profile of 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate
Property Insights of 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate. Following Lipinski's Rule of Five, 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate 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 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate?
The CAS number of 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate is 4239-25-2.
What is the molecular formula of 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate?
The molecular formula of 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate is C8H18O6S2.
What is the molecular weight of 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate?
The molecular weight of 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate is 274.05 g/mol.
Where can I buy 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate?
You can request a quote for 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanediol, 2,2-dimethyl-, dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.