4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide
TL;DR: 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide (CAS 99300-64-8) is a chemical compound with molecular formula C9H11N2O4PS and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-6-nitro-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
Also Known As: N,N-Dimethyl-6-nitro-4H-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide, 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide, N,N-dimethyl-6-nitro-2-sulfanylidene-4H-1,3,2, N,N-Dimethyl-6-nitro-4H-1,3,2-benzodioxaphosphorin-2-amine2-sulfide, 2-(Dimethylamino)-6-nitro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2-thione
| Molecular Formula | C9H11N2O4PS |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.0177 |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 99300-64-8 |
|---|---|
| SMILES | CN(C)P1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
| InChIKey | CAXSOCSELKTOFO-UHFFFAOYSA-N |
Product Overview
4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide (CAS 99300-64-8), with molecular formula C9H11N2O4PS and molecular weight 274.02 g/mol. IUPAC: N,N-dimethyl-6-nitro-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine.
Chemical Property Profile of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide
Property Insights of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide. Following Lipinski's Rule of Five, 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide has 0 hydrogen bond donor(s) and 6 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-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide?
The CAS number of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide is 99300-64-8.
What is the molecular formula of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide?
The molecular formula of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide is C9H11N2O4PS.
What is the molecular weight of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide?
The molecular weight of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide is 274.02 g/mol.
Where can I buy 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide?
You can request a quote for 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 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-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3,2-Benzodioxaphosphorin-2-amine, N,N-dimethyl-6-nitro-, 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.