4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide
TL;DR: 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide (CAS 99300-63-7) is a chemical compound with molecular formula C10H13N2O4PS and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-N-propan-2-yl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
Also Known As: N-(1-Methylethyl)-6-nitro-4H-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide, 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide, 6-nitro-N-propan-2-yl-2-sulfanylidene-4H-1,3,2, N-isopropyl-6-nitro-2-thioxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-amine, 6-Nitro-2-[(propan-2-yl)amino]-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2-thione
| Molecular Formula | C10H13N2O4PS |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.03336 |
| Heavy Atoms | 18 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 99300-63-7 |
|---|---|
| SMILES | CC(C)NP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
| InChIKey | BHMIEZASVUEXOJ-UHFFFAOYSA-N |
Product Overview
4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide (CAS 99300-63-7), with molecular formula C10H13N2O4PS and molecular weight 288.03 g/mol. IUPAC: 6-nitro-N-propan-2-yl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine.
Chemical Property Profile of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide
Property Insights of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide
The XLogP value of 3.0 indicates that 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide. Following Lipinski's Rule of Five, 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide has 1 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-(1-methylethyl)-6-nitro-, 2-sulfide?
The CAS number of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide is 99300-63-7.
What is the molecular formula of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide?
The molecular formula of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide is C10H13N2O4PS.
What is the molecular weight of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide?
The molecular weight of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide is 288.03 g/mol.
Where can I buy 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide?
You can request a quote for 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-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-(1-methylethyl)-6-nitro-, 2-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-(1-methylethyl)-6-nitro-, 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.