NCI60_021953
TL;DR: NCI60_021953 (CAS 107945-96-0) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,5-dihydroxy-4,4-dimethyl-5-phenylimidazol-2-yl)-phenylmethanone
Also Known As: NCI60_021953, 2-benzoyl-4-hydroxy-5,5-dimethyl-4-phenyl-4,5-dihydro-1H-imidazole 3-oxide, (1,5-dihydroxy-4,4-dimethyl-5-phenyl-4,5-dihydro-1H-imidazol-2-yl)(phenyl)methanone, (1,5-dihydroxy-4,4-dimethyl-5-phenylimidazol-2-yl)-phenylmethanone, (4-hydroxy-5,5-dimethyl-3-oxido-4-phenyl-4,5-dihydro-1H-imidazol-2-yl)(phenyl)methanone
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 107945-96-0 |
|---|---|
| SMILES | CC1(C(N(C(=N1)C(=O)C2=CC=CC=C2)O)(C3=CC=CC=C3)O)C |
| InChIKey | RASCYQMDJSGGPK-UHFFFAOYSA-N |
Product Overview
NCI60_021953 (CAS 107945-96-0), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: (1,5-dihydroxy-4,4-dimethyl-5-phenylimidazol-2-yl)-phenylmethanone.
Chemical Property Profile of NCI60_021953
Property Insights of NCI60_021953
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_021953. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_021953. Following Lipinski's Rule of Five, NCI60_021953 has 2 hydrogen bond donor(s) and 4 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_021953?
The CAS number of NCI60_021953 is 107945-96-0.
What is the molecular formula of NCI60_021953?
The molecular formula of NCI60_021953 is C18H18N2O3.
What is the molecular weight of NCI60_021953?
The molecular weight of NCI60_021953 is 310.13 g/mol.
Where can I buy NCI60_021953?
You can request a quote for NCI60_021953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_021953?
Yes, KEHONG BIO provides custom synthesis services for NCI60_021953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.