Not Available
TL;DR: Not Available (CAS 101268-22-8) is a chemical compound with molecular formula C13H18O3S and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-one
Also Known As: Not Available, 3,3-Dimethyl-1-tosylbutan-2-one, Benzofuran, 5-chloro-, NCIOpen2_006598, 1-(4-Toluenesulfonyl)-3,3-dimethylbutane-2-one
| Molecular Formula | C13H18O3S |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.09767 |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 101268-22-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C(C)(C)C |
| InChIKey | HQISUXUFXCVRIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Not Available (CAS 101268-22-8), with molecular formula C13H18O3S and molecular weight 254.10 g/mol. IUPAC: 3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-one.
Chemical Property Profile of Not Available
Property Insights of Not Available
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Not Available. With a topological polar surface area (TPSA) of 59.6 Ų, Not Available exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Not Available 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 Not Available?
The CAS number of Not Available is 101268-22-8.
What is the molecular formula of Not Available?
The molecular formula of Not Available is C13H18O3S.
What is the molecular weight of Not Available?
The molecular weight of Not Available is 254.10 g/mol.
Where can I buy Not Available?
You can request a quote for Not Available directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Not Available?
Yes, KEHONG BIO provides custom synthesis services for Not Available and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.