(4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate
TL;DR: (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate (CAS 14617-67-5) is a chemical compound with molecular formula C12H14N2O5S and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate
Also Known As: (4-acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate, 4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl 4-methylbenzene-1-sulfonate
| Molecular Formula | C12H14N2O5S |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.06235 |
| Heavy Atoms | 20 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 14617-67-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=NOCC2NC(=O)C |
| InChIKey | SLASGVGHSISDAS-UHFFFAOYSA-N |
Product Overview
(4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate (CAS 14617-67-5), with molecular formula C12H14N2O5S and molecular weight 298.06 g/mol. IUPAC: (4-acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate
Property Insights of (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate has 1 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 (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate?
The CAS number of (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate is 14617-67-5.
What is the molecular formula of (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate?
The molecular formula of (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate is C12H14N2O5S.
What is the molecular weight of (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate?
The molecular weight of (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate is 298.06 g/mol.
Where can I buy (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate?
You can request a quote for (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Acetamido-4,5-dihydro-1,2-oxazol-3-yl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.