NCI60_023242
TL;DR: NCI60_023242 (CAS 85335-07-5) is a chemical compound with molecular formula C17H15N2O6PS and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dinitrophenyl)sulfanyl-5,5-dimethyl-2-phenyl-1,2λ5-oxaphosphole 2-oxide
Also Known As: NCI60_023242, 1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2,5-dihydro-5,5-dimethyl-2-phenyl-, 2-oxide, 4-(2,4-dinitrophenyl)sulfanyl-5,5-dimethyl-2-phenyl-1,2, 4-(2,4-dinitrophenyl)sulfanyl-5,5-dimethyl-2-phenyl-1,2$l^{5}-oxaphosphole 2-oxide, 4-[(2,4-Dinitrophenyl)sulfanyl]-5,5-dimethyl-2-phenyl-2,5-dihydro-1,2lambda~5~-oxaphosphol-2-one
| Molecular Formula | C17H15N2O6PS |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.03885 |
| Heavy Atoms | 27 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 85335-07-5 |
|---|---|
| SMILES | CC1(C(=CP(=O)(O1)C2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | QVLHDKYXYKJAPF-UHFFFAOYSA-N |
Product Overview
NCI60_023242 (CAS 85335-07-5), with molecular formula C17H15N2O6PS and molecular weight 406.04 g/mol. IUPAC: 4-(2,4-dinitrophenyl)sulfanyl-5,5-dimethyl-2-phenyl-1,2λ5-oxaphosphole 2-oxide.
Chemical Property Profile of NCI60_023242
Property Insights of NCI60_023242
The XLogP value of 3.0 indicates that NCI60_023242 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting NCI60_023242 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_023242 has 0 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 NCI60_023242?
The CAS number of NCI60_023242 is 85335-07-5.
What is the molecular formula of NCI60_023242?
The molecular formula of NCI60_023242 is C17H15N2O6PS.
What is the molecular weight of NCI60_023242?
The molecular weight of NCI60_023242 is 406.04 g/mol.
Where can I buy NCI60_023242?
You can request a quote for NCI60_023242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_023242?
Yes, KEHONG BIO provides custom synthesis services for NCI60_023242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.