A4022/0171594
TL;DR: A4022/0171594 (CAS 874590-57-5) is a chemical compound with molecular formula C15H14N4O4 and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzimidazol-2-one
Also Known As: A4022/0171594, 1,3-dimethyl-5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzimidazol-2-one, (E)-1,3-dimethyl-5-(2-(3-methyl-4-nitroisoxazol-5-yl)vinyl)-1H-benzo[d]imidazol-2(3H)-one, 1,3-DIMETHYL-5-[(1E)-2-(3-METHYL-4-NITRO-1,2-OXAZOL-5-YL)ETHENYL]-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-2-ONE, 1,3-dimethyl-5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1,3-dihydro-2H-benzimidazol-2-one
| Molecular Formula | C15H14N4O4 |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 2.25202 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1015 |
| Heavy Atoms | 23 |
| Complexity | 1006.566 |
Chemical Identifiers
| CAS Number | 874590-57-5 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CC3=C(C=C2)N(C(=O)N3C)C |
Product Overview
A4022/0171594 (CAS 874590-57-5), with molecular formula C15H14N4O4 and molecular weight 314.10 g/mol. IUPAC: 1,3-dimethyl-5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzimidazol-2-one.
Chemical Property Profile of A4022/0171594
Property Insights of A4022/0171594
The XLogP value of 2.25202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4022/0171594. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for A4022/0171594. Following Lipinski's Rule of Five, A4022/0171594 has 0 hydrogen bond donor(s) and 5 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 A4022/0171594?
The CAS number of A4022/0171594 is 874590-57-5.
What is the molecular formula of A4022/0171594?
The molecular formula of A4022/0171594 is C15H14N4O4.
What is the molecular weight of A4022/0171594?
The molecular weight of A4022/0171594 is 314.10 g/mol.
Where can I buy A4022/0171594?
You can request a quote for A4022/0171594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4022/0171594?
Yes, KEHONG BIO provides custom synthesis services for A4022/0171594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.