NCI-35847 free base
TL;DR: NCI-35847 free base (CAS 4222-08-6) is a chemical compound with molecular formula C26H23N7O4 and molecular weight 497.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide
Also Known As: NCI-35847 free base, J2.793.900G, N(1),N(4)-Bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-2-(hydroxy(oxido)amino)terephthalamide, 1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrob, 1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide
| Molecular Formula | C26H23N7O4 |
|---|---|
| Molecular Weight | 497.18 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.18115 |
| Heavy Atoms | 37 |
| Complexity | 916.0 |
Chemical Identifiers
| CAS Number | 4222-08-6 |
|---|---|
| SMILES | C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)[N+](=O)[O-] |
| InChIKey | WQZYYJRVBIQUGH-UHFFFAOYSA-N |
Product Overview
NCI-35847 free base (CAS 4222-08-6), with molecular formula C26H23N7O4 and molecular weight 497.18 g/mol. IUPAC: 1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide.
Chemical Property Profile of NCI-35847 free base
Property Insights of NCI-35847 free base
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI-35847 free base. The TPSA of 153.0 Ų indicates high polarity, suggesting NCI-35847 free base may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI-35847 free base has 4 hydrogen bond donor(s) and 6 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 NCI-35847 free base?
The CAS number of NCI-35847 free base is 4222-08-6.
What is the molecular formula of NCI-35847 free base?
The molecular formula of NCI-35847 free base is C26H23N7O4.
What is the molecular weight of NCI-35847 free base?
The molecular weight of NCI-35847 free base is 497.18 g/mol.
Where can I buy NCI-35847 free base?
You can request a quote for NCI-35847 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI-35847 free base?
Yes, KEHONG BIO provides custom synthesis services for NCI-35847 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.