NCI60_000405
TL;DR: NCI60_000405 (CAS 2582-30-1) is a chemical compound with molecular formula C25H12N2O8 and molecular weight 468.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Also Known As: NCI60_000405, 1h,3h-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone- 1,1'-methanediylbis(4-isocyanatobenzene)(1:1), furo[3,4-f]isobenzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene, furo[3,4-f][2]benzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene, 1H,3H-Benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone--1,1'-methylenebis(4-isocyanatobenzene) (1/1)
| Molecular Formula | C25H12N2O8 |
|---|---|
| Molecular Weight | 468.06 g/mol |
| LogP | 2.7074 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.05936 |
| Heavy Atoms | 35 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 2582-30-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O |
| InChIKey | QMFJHPFJGDEWOU-UHFFFAOYSA-N |
Product Overview
NCI60_000405 (CAS 2582-30-1), with molecular formula C25H12N2O8 and molecular weight 468.06 g/mol. IUPAC: furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene.
Chemical Property Profile of NCI60_000405
Property Insights of NCI60_000405
The XLogP value of 2.7074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_000405. The TPSA of 146.0 Ų indicates high polarity, suggesting NCI60_000405 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_000405 has 0 hydrogen bond donor(s) and 10 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_000405?
The CAS number of NCI60_000405 is 2582-30-1.
What is the molecular formula of NCI60_000405?
The molecular formula of NCI60_000405 is C25H12N2O8.
What is the molecular weight of NCI60_000405?
The molecular weight of NCI60_000405 is 468.06 g/mol.
Where can I buy NCI60_000405?
You can request a quote for NCI60_000405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_000405?
Yes, KEHONG BIO provides custom synthesis services for NCI60_000405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.