4-甲基-1,3,2-二噁噻烷2-氧化物
TL;DR: 4-甲基-1,3,2-二噁噻烷2-氧化物 (CAS 4426-51-1) is a chemical compound with molecular formula C4H8O3S and molecular weight 136.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-1,3,2-二噁噻烷2-氧化物
4-methyl-1,3,2-dioxathiane 2-oxide
Also Known As: 4-Methyl-1,3,2-dioxathiane 2-oxide, 1,3-Butylene sulphite, 1, cyclic sulfite, 4-Methyltrimethylene sulfite, 4-Methyl-trimethylene sulfite
| Molecular Formula | C4H8O3S |
|---|---|
| Molecular Weight | 136.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.01941 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 4426-51-1 |
|---|---|
| SMILES | CC1CCOS(=O)O1 |
| InChIKey | WGMZCGUVEQNCCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-1,3,2-二噁噻烷2-氧化物 (CAS 4426-51-1), with molecular formula C4H8O3S and molecular weight 136.02 g/mol. IUPAC: 4-methyl-1,3,2-dioxathiane 2-oxide.
Chemical Property Profile of 4-甲基-1,3,2-二噁噻烷2-氧化物
Property Insights of 4-甲基-1,3,2-二噁噻烷2-氧化物
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-1,3,2-二噁噻烷2-氧化物. With a topological polar surface area (TPSA) of 54.7 Ų, 4-甲基-1,3,2-二噁噻烷2-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-1,3,2-二噁噻烷2-氧化物 has 0 hydrogen bond donor(s) and 4 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 4-甲基-1,3,2-二噁噻烷2-氧化物?
The CAS number of 4-甲基-1,3,2-二噁噻烷2-氧化物 is 4426-51-1.
What is the molecular formula of 4-甲基-1,3,2-二噁噻烷2-氧化物?
The molecular formula of 4-甲基-1,3,2-二噁噻烷2-氧化物 is C4H8O3S.
What is the molecular weight of 4-甲基-1,3,2-二噁噻烷2-氧化物?
The molecular weight of 4-甲基-1,3,2-二噁噻烷2-氧化物 is 136.02 g/mol.
Where can I buy 4-甲基-1,3,2-二噁噻烷2-氧化物?
You can request a quote for 4-甲基-1,3,2-二噁噻烷2-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-1,3,2-二噁噻烷2-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-1,3,2-二噁噻烷2-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.