NCIOpen2_006821
TL;DR: NCIOpen2_006821 (CAS 21029-33-4) is a chemical compound with molecular formula C10H14N3O5P and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-5-nitro-2-oxo-N-(pyridin-3-ylmethyl)-1,3,2λ5-dioxaphosphinan-2-amine
Also Known As: NCIOpen2_006821, 2-(3-pyridyl)-3-(4-hydroxyphenyl)-6-hydroxyindene, 5-methyl-5-nitro-2-oxo-N-(pyridin-3-ylmethyl)-1,3,2, 5-methyl-5-nitro-n-(pyridin-3-ylmethyl)-1,3,2-dioxaphosphinan-2-amine 2-oxide, 5-Methyl-5-nitro-2-{[(pyridin-3-yl)methyl]amino}-1,3,2lambda~5~-dioxaphosphinan-2-one
| Molecular Formula | C10H14N3O5P |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0671 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 21029-33-4 |
|---|---|
| SMILES | CC1(COP(=O)(OC1)NCC2=CN=CC=C2)[N+](=O)[O-] |
| InChIKey | JPVHETZOSSMSIE-UHFFFAOYSA-N |
Product Overview
NCIOpen2_006821 (CAS 21029-33-4), with molecular formula C10H14N3O5P and molecular weight 287.07 g/mol. IUPAC: 5-methyl-5-nitro-2-oxo-N-(pyridin-3-ylmethyl)-1,3,2λ5-dioxaphosphinan-2-amine.
Chemical Property Profile of NCIOpen2_006821
Property Insights of NCIOpen2_006821
The XLogP value of -0.5 indicates that NCIOpen2_006821 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_006821. Following Lipinski's Rule of Five, NCIOpen2_006821 has 1 hydrogen bond donor(s) and 7 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 NCIOpen2_006821?
The CAS number of NCIOpen2_006821 is 21029-33-4.
What is the molecular formula of NCIOpen2_006821?
The molecular formula of NCIOpen2_006821 is C10H14N3O5P.
What is the molecular weight of NCIOpen2_006821?
The molecular weight of NCIOpen2_006821 is 287.07 g/mol.
Where can I buy NCIOpen2_006821?
You can request a quote for NCIOpen2_006821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_006821?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_006821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.