NCI60_027710
TL;DR: NCI60_027710 (CAS 754159-39-2) is a chemical compound with molecular formula C36H38N6O6P2 and molecular weight 712.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-[[4-[[ethoxy(hydroxy)phosphoryl]-(4-phenyldiazenylanilino)methyl]phenyl]-(4-phenyldiazenylanilino)methyl]phosphinic acid
Also Known As: NCI60_027710, ethoxy-[[4-[[ethoxy(hydroxy)phosphoryl]-[4-[(E)-phenylazo]anilino]methyl]phenyl]-[4-[(E)-phenylazo]anilino]methyl]phosphinic acid, Diethyl (1,4-phenylenebis{[4-(phenyldiazenyl)anilino]methylene})bis[hydrogen (phosphonate)], ethoxy-[[4-[[ethoxy(hydroxy)phosphoryl]-(4-phenyldiazenylanilino)methyl]phenyl]-(4-phenyldiazenylanilino)methyl]phosphinic acid, Ethyl hydrogen {4-[[ethoxy(hydroxy)phosphoryl]({4-[(E)-phenyldiazenyl]phenyl}amino)methyl]phenyl}({4-[(E)-phenyldiazenyl]phenyl}amino)methylphosphonate
| Molecular Formula | C36H38N6O6P2 |
|---|---|
| Molecular Weight | 712.23 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 712.2328 |
| Heavy Atoms | 50 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 754159-39-2 |
|---|---|
| SMILES | CCOP(=O)(C(C1=CC=C(C=C1)C(NC2=CC=C(C=C2)N=NC3=CC=CC=C3)P(=O)(O)OCC)NC4=CC=C(C=C4)N=NC5=CC=CC=C5)O |
| InChIKey | JNPLCGCDHLGTLQ-UHFFFAOYSA-N |
Product Overview
NCI60_027710 (CAS 754159-39-2), with molecular formula C36H38N6O6P2 and molecular weight 712.23 g/mol. IUPAC: ethoxy-[[4-[[ethoxy(hydroxy)phosphoryl]-(4-phenyldiazenylanilino)methyl]phenyl]-(4-phenyldiazenylanilino)methyl]phosphinic acid.
Chemical Property Profile of NCI60_027710
Property Insights of NCI60_027710
The XLogP value of 6.8 indicates that NCI60_027710 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting NCI60_027710 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_027710 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_027710?
The CAS number of NCI60_027710 is 754159-39-2.
What is the molecular formula of NCI60_027710?
The molecular formula of NCI60_027710 is C36H38N6O6P2.
What is the molecular weight of NCI60_027710?
The molecular weight of NCI60_027710 is 712.23 g/mol.
Where can I buy NCI60_027710?
You can request a quote for NCI60_027710 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_027710?
Yes, KEHONG BIO provides custom synthesis services for NCI60_027710 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.