1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one
TL;DR: 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one (CAS 65838-74-6) is a chemical compound with molecular formula C16H16ClNOS and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one
Also Known As: 1-chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one, 2-isopropyl-3-oxo-1-phenyl-2,3-dihydro-benzo[d]isothiazolium,chloride, 1-Chloro-1-phenyl-2-(propan-2-yl)-1,2-dihydro-3H-1lambda~4~,2-benzothiazol-3-one
| Molecular Formula | C16H16ClNOS |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.06412 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 65838-74-6 |
|---|---|
| SMILES | CC(C)N1C(=O)C2=CC=CC=C2S1(C3=CC=CC=C3)Cl |
| InChIKey | XOULPJLOLPILQW-UHFFFAOYSA-N |
Product Overview
1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one (CAS 65838-74-6), with molecular formula C16H16ClNOS and molecular weight 305.06 g/mol. IUPAC: 1-chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one.
Chemical Property Profile of 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one
Property Insights of 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one
The XLogP value of 5.0 indicates that 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one has 0 hydrogen bond donor(s) and 2 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 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one?
The CAS number of 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one is 65838-74-6.
What is the molecular formula of 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one?
The molecular formula of 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one is C16H16ClNOS.
What is the molecular weight of 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one?
The molecular weight of 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one is 305.06 g/mol.
Where can I buy 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one?
You can request a quote for 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1-phenyl-2-propan-2-yl-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.