3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one
TL;DR: 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one (CAS 7134-82-9) is a chemical compound with molecular formula C14H9NO2S and molecular weight 255.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4-sulfanylidene-1,3-benzoxazin-2-one
Also Known As: 3-phenyl-4-sulfanylidene-1,3-benzoxazin-2-one, 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one, 3-phenyl-4-thioxo-2h-1,3-benzoxazine-2(3h)-one, 8-phenyl-7-sulfanylidene-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-trien-9-one, RefChem:281755
| Molecular Formula | C14H9NO2S |
|---|---|
| Molecular Weight | 255.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.0354 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 7134-82-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=S)C3=CC=CC=C3OC2=O |
| InChIKey | LSBVQBIIKZGFLM-UHFFFAOYSA-N |
Product Overview
3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one (CAS 7134-82-9), with molecular formula C14H9NO2S and molecular weight 255.04 g/mol. IUPAC: 3-phenyl-4-sulfanylidene-1,3-benzoxazin-2-one.
Chemical Property Profile of 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one
Property Insights of 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one
The XLogP value of 3.4 indicates that 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-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 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one. Following Lipinski's Rule of Five, 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-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 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one?
The CAS number of 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one is 7134-82-9.
What is the molecular formula of 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one?
The molecular formula of 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one is C14H9NO2S.
What is the molecular weight of 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one?
The molecular weight of 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one is 255.04 g/mol.
Where can I buy 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one?
You can request a quote for 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-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 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-4-sulfanylidene-3,4-dihydro-2H-1,3-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.