4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide
TL;DR: 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide (CAS 198767-45-2) is a chemical compound with molecular formula C14H12NO2PS and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-benzoxazaphosphinin-4-one
Also Known As: 3-Methyl-2-phenyl-4H-1,3,2-benzoxazaphosphorin-4-one 2-sulfide, 3-methyl-2-phenyl-2-sulfanylidene-1,3,2, 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide, 2-Phenyl-3-methyl-2,3-dihydro-4H-1,3,2-benzoxazaphosphorin-4-one 2-sulfide, 2-PHENYL-3-METHYL-2,3-DIHYDRO-4H-1,3,2-BENZOXAZAPHOSPHORIN-4-ONE 2-SUL FIDE
| Molecular Formula | C14H12NO2PS |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 2.786 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.03262 |
| Heavy Atoms | 19 |
| Complexity | 686.85516 |
Chemical Identifiers
| CAS Number | 198767-45-2 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2OP1(=S)C3=CC=CC=C3 |
Product Overview
4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide (CAS 198767-45-2), with molecular formula C14H12NO2PS and molecular weight 289.03 g/mol. IUPAC: 3-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-benzoxazaphosphinin-4-one.
Chemical Property Profile of 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide
Property Insights of 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide
The XLogP value of 2.786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide. With a topological polar surface area (TPSA) of 29.54 Ų, 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide 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 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide?
The CAS number of 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide is 198767-45-2.
What is the molecular formula of 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide?
The molecular formula of 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide is C14H12NO2PS.
What is the molecular weight of 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide?
The molecular weight of 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide is 289.03 g/mol.
Where can I buy 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide?
You can request a quote for 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-3-methyl-2-phenyl-, 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.