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6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one
TL;DR: 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one (CAS 22007-94-9) is a chemical compound with molecular formula C8H3Cl4NO2S and molecular weight 316.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one
Also Known As: 6-chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one, 6-chloro-3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one, 2(3H)-Benzoxazolone,6-chloro-3-[(trichloromethyl)thio]-
| Molecular Formula | C8H3Cl4NO2S |
|---|---|
| Molecular Weight | 316.86 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.86386 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 22007-94-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)OC(=O)N2SC(Cl)(Cl)Cl |
| InChIKey | RZLDVTPGUNNGTR-UHFFFAOYSA-N |
Product Overview
6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one (CAS 22007-94-9), with molecular formula C8H3Cl4NO2S and molecular weight 316.86 g/mol. IUPAC: 6-chloro-3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one
Property Insights of 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one
The XLogP value of 4.3 indicates that 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one 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 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one?
The CAS number of 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one is 22007-94-9.
What is the molecular formula of 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one?
The molecular formula of 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one is C8H3Cl4NO2S.
What is the molecular weight of 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one?
The molecular weight of 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one is 316.86 g/mol.
Where can I buy 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one?
You can request a quote for 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.