3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)-
TL;DR: 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)- (CAS 88235-12-5) is a chemical compound with molecular formula C11H9NO2S and molecular weight 219.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-sulfanylidene-1,3-benzoxazol-3-yl)but-3-en-2-one
Also Known As: 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)-, 4-(2-sulfanylidene-1,3-benzoxazol-3-yl)but-3-en-2-one, 4-(2-Sulfanylidene-1,3-benzoxazol-3(2H)-yl)but-3-en-2-one
| Molecular Formula | C11H9NO2S |
|---|---|
| Molecular Weight | 219.04 g/mol |
| LogP | 3.02349 |
| Topological Polar Surface Area | 35.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.0354 |
| Heavy Atoms | 15 |
| Complexity | 591.89886 |
Chemical Identifiers
| CAS Number | 88235-12-5 |
|---|---|
| SMILES | CC(=O)C=CN1C2=CC=CC=C2OC1=S |
Product Overview
3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)- (CAS 88235-12-5), with molecular formula C11H9NO2S and molecular weight 219.04 g/mol. IUPAC: 4-(2-sulfanylidene-1,3-benzoxazol-3-yl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)-
Property Insights of 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)-
The XLogP value of 3.02349 indicates that 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.14 Ų, 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)- has 0 hydrogen bond donor(s) and 3 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-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)-?
The CAS number of 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)- is 88235-12-5.
What is the molecular formula of 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)-?
The molecular formula of 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)- is C11H9NO2S.
What is the molecular weight of 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)-?
The molecular weight of 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)- is 219.04 g/mol.
Where can I buy 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)-?
You can request a quote for 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(2-thioxo-3(2H)-benzoxazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.