NCI60_003782
TL;DR: NCI60_003782 (CAS 74032-64-7) is a chemical compound with molecular formula C42H58N4O6 and molecular weight 714.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(diethylamino)ethyliminomethyl]-2-[8-[2-(diethylamino)ethyliminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol
Also Known As: NCI60_003782, 8-[(E)-2-diethylaminoethyliminomethyl]-2-[8-[(E)-2-diethylaminoethyliminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-5-isopropyl-3-methyl-naphthalene-1,6,7-triol, (1E)-1-[(2-diethylaminoethylamino)methylidene]-7-[(8Z)-8-[(2-diethylaminoethylamino)methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one, (1E)-1-[[2-(diethylamino)ethylamino]methylidene]-7-[(8Z)-8-[[2-(diethylamino)ethylamino]methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one, (1Z)-1-[(2-DIETHYLAMINOETHYLAMINO)METHYLIDENE]-7-[(8Z)-8-[(2-DIETHYLAMINOETHYLAMINO)METHYLIDENE]-1,6-DIHYDROXY-3-METHYL-7-OXO-5-PROPAN-2-YL-NAPHTHALEN-2-YL]-3,8-DIHYDROXY-6-METHYL-4-PROPAN-2-YL-NAPHTHALEN-2-ONE
| Molecular Formula | C42H58N4O6 |
|---|---|
| Molecular Weight | 714.44 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 714.4356 |
| Heavy Atoms | 52 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 74032-64-7 |
|---|---|
| SMILES | CCN(CC)CCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCN(CC)CC)O)O)C(C)C)O)O)C(C)C)O)O |
| InChIKey | WQWALOPHLHWWBW-UHFFFAOYSA-N |
Product Overview
NCI60_003782 (CAS 74032-64-7), with molecular formula C42H58N4O6 and molecular weight 714.44 g/mol. IUPAC: 8-[2-(diethylamino)ethyliminomethyl]-2-[8-[2-(diethylamino)ethyliminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol.
Chemical Property Profile of NCI60_003782
Property Insights of NCI60_003782
The XLogP value of 7.6 indicates that NCI60_003782 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting NCI60_003782 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_003782 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_003782?
The CAS number of NCI60_003782 is 74032-64-7.
What is the molecular formula of NCI60_003782?
The molecular formula of NCI60_003782 is C42H58N4O6.
What is the molecular weight of NCI60_003782?
The molecular weight of NCI60_003782 is 714.44 g/mol.
Where can I buy NCI60_003782?
You can request a quote for NCI60_003782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003782?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.