(2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate
TL;DR: (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate (CAS 76299-53-1) is a chemical compound with molecular formula C12H12O5S and molecular weight 268.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate
Also Known As: (2-oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate, 3-(toluene-4-sulfonyloxymethylene)-dihydro-furan-2-one
| Molecular Formula | C12H12O5S |
|---|---|
| Molecular Weight | 268.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.04056 |
| Heavy Atoms | 18 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 76299-53-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC=C2CCOC2=O |
| InChIKey | JIKRVELHQCDOSV-UHFFFAOYSA-N |
Product Overview
(2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate (CAS 76299-53-1), with molecular formula C12H12O5S and molecular weight 268.04 g/mol. IUPAC: (2-oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate.
Chemical Property Profile of (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate
Property Insights of (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 5 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-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate?
The CAS number of (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate is 76299-53-1.
What is the molecular formula of (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate?
The molecular formula of (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate is C12H12O5S.
What is the molecular weight of (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate?
The molecular weight of (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate is 268.04 g/mol.
Where can I buy (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate?
You can request a quote for (2-Oxooxolan-3-ylidene)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 (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxooxolan-3-ylidene)methyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.