1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide
TL;DR: 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide (CAS 7597-40-2) is a chemical compound with molecular formula C12H10N3O3P and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-1,3-dihydro-1,3,2λ5-benzodiazaphosphole 2-oxide
Also Known As: 8-(4-nitrophenyl)-7,9-diaza-8, 2-(4-nitrophenyl)-1,3-dihydro-1,3,2, 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide, 1H-1,3,2-Benzodiazaphosphole,2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide, 2-(4-nitrophenyl)-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole 2-oxide
| Molecular Formula | C12H10N3O3P |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.046 |
| Heavy Atoms | 19 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 7597-40-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NP(=O)(N2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | FJZOMILCYLJCHO-UHFFFAOYSA-N |
Product Overview
1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide (CAS 7597-40-2), with molecular formula C12H10N3O3P and molecular weight 275.05 g/mol. IUPAC: 2-(4-nitrophenyl)-1,3-dihydro-1,3,2λ5-benzodiazaphosphole 2-oxide.
Chemical Property Profile of 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide
Property Insights of 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide. Following Lipinski's Rule of Five, 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide has 2 hydrogen bond donor(s) and 5 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 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide?
The CAS number of 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide is 7597-40-2.
What is the molecular formula of 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide?
The molecular formula of 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide is C12H10N3O3P.
What is the molecular weight of 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide?
The molecular weight of 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide is 275.05 g/mol.
Where can I buy 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide?
You can request a quote for 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,3,2-Benzodiazaphosphole, 2,3-dihydro-2-(4-nitrophenyl)-, 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.