(3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate
TL;DR: (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate (CAS 99314-44-0) is a chemical compound with molecular formula C12H16O4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate
Also Known As: (3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate, BARIUMCHROMATE, UPCMLD00WCRH3-139, (3-methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate, 3-(Tosyloxymethyl)-3-methyloxetane
| Molecular Formula | C12H16O4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 1.73682 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.07693 |
| Heavy Atoms | 17 |
| Complexity | 485.74185 |
Chemical Identifiers
| CAS Number | 99314-44-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2(COC2)C |
Product Overview
(3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate (CAS 99314-44-0), with molecular formula C12H16O4S and molecular weight 256.08 g/mol. IUPAC: (3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate.
Chemical Property Profile of (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate
Property Insights of (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate
The XLogP value of 1.73682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate. With a topological polar surface area (TPSA) of 52.6 Ų, (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate 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 (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate?
The CAS number of (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate is 99314-44-0.
What is the molecular formula of (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate?
The molecular formula of (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate is C12H16O4S.
What is the molecular weight of (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate?
The molecular weight of (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate is 256.08 g/mol.
Where can I buy (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate?
You can request a quote for (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.