NCI60_000094
TL;DR: NCI60_000094 (CAS 27704-06-9) is a chemical compound with molecular formula C22H18N6O4 and molecular weight 430.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[4-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]benzene-1,3-diol
Also Known As: NCI60_000094, (4Z)-3-hydroxy-4-[[2-[4-[2-[(Z)-(2-hydroxy-4-oxocyclohexa-2,
| Molecular Formula | C22H18N6O4 |
|---|---|
| Molecular Weight | 430.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.13895 |
| Heavy Atoms | 32 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 27704-06-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN=C2NN=CC3=C(C=C(C=C3)O)O)NN=CC4=C(C=C(C=C4)O)O |
| InChIKey | KHMFQNBWCPWXQN-UHFFFAOYSA-N |
Product Overview
NCI60_000094 (CAS 27704-06-9), with molecular formula C22H18N6O4 and molecular weight 430.14 g/mol. IUPAC: 4-[[[4-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]benzene-1,3-diol.
Chemical Property Profile of NCI60_000094
Property Insights of NCI60_000094
The XLogP value of 3.6 indicates that NCI60_000094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting NCI60_000094 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_000094 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_000094?
The CAS number of NCI60_000094 is 27704-06-9.
What is the molecular formula of NCI60_000094?
The molecular formula of NCI60_000094 is C22H18N6O4.
What is the molecular weight of NCI60_000094?
The molecular weight of NCI60_000094 is 430.14 g/mol.
Where can I buy NCI60_000094?
You can request a quote for NCI60_000094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_000094?
Yes, KEHONG BIO provides custom synthesis services for NCI60_000094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.