![3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one structure](/static/products/698/698985-59-0.png)
3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one
TL;DR: 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one (CAS 698985-59-0) is a chemical compound with molecular formula C15H17NOS2 and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one
Also Known As: AO-080/42936614, 3,3-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one, 3,3-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-2-butanone, A3669/0155570, 2-Butanone, 3,3-dimethyl-1-[(4-phenyl-2-thiazolyl)thio]-
| Molecular Formula | C15H17NOS2 |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 4.5174 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.07516 |
| Heavy Atoms | 19 |
| Complexity | 555.0246 |
Chemical Identifiers
| CAS Number | 698985-59-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC(=CS1)C2=CC=CC=C2 |
Product Overview
3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one (CAS 698985-59-0), with molecular formula C15H17NOS2 and molecular weight 291.08 g/mol. IUPAC: 3,3-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one.
Chemical Property Profile of 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one
Property Insights of 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one
The XLogP value of 4.5174 indicates that 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one 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 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one?
The CAS number of 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one is 698985-59-0.
What is the molecular formula of 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one?
The molecular formula of 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one is C15H17NOS2.
What is the molecular weight of 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one?
The molecular weight of 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one is 291.08 g/mol.
Where can I buy 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one?
You can request a quote for 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.