6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one
TL;DR: 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one (CAS 306963-86-0) is a chemical compound with molecular formula C14H8ClNO2S and molecular weight 289.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-phenyl-4-sulfanylidene-1,3-benzoxazin-2-one
Also Known As: 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one, 6-chloro-3-phenyl-4-sulfanylidene-1,3-benzoxazin-2-one, 6-chloro-3-phenyl-4-thioxo-2h-1,3-benzoxazine-2(3h)-one, 6-Chloro-3-phenyl-4-thioxo-3,4-dihydro-benzo[e][1,3]oxazin-2-one, 2H-1,3-Benzoxazin-2-one, 6-chloro-3,4-dihydro-3-phenyl-4-thioxo-
| Molecular Formula | C14H8ClNO2S |
|---|---|
| Molecular Weight | 289.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.99643 |
| Heavy Atoms | 19 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 306963-86-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Cl)OC2=O |
| InChIKey | SSWVFFWGYWFKKS-UHFFFAOYSA-N |
Product Overview
6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one (CAS 306963-86-0), with molecular formula C14H8ClNO2S and molecular weight 289.00 g/mol. IUPAC: 6-chloro-3-phenyl-4-sulfanylidene-1,3-benzoxazin-2-one.
Chemical Property Profile of 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one
Property Insights of 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one
The XLogP value of 4.0 indicates that 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one. Following Lipinski's Rule of Five, 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-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-phenyl-4-thioxo-1,3-benzoxazin-2-one?
The CAS number of 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one is 306963-86-0.
What is the molecular formula of 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one?
The molecular formula of 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one is C14H8ClNO2S.
What is the molecular weight of 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one?
The molecular weight of 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one is 289.00 g/mol.
Where can I buy 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one?
You can request a quote for 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-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-phenyl-4-thioxo-1,3-benzoxazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-phenyl-4-thioxo-1,3-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.