AB00099078-01
TL;DR: AB00099078-01 (CAS 423150-39-4) is a chemical compound with molecular formula C14H17ClN2O3 and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-chlorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone
Also Known As: AB00099078-01, AB00099078-03, 1-[5-(4-chlorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone, 1-[4-(4-chlorophenyl)-1-hydroxy-2,5,5-trimethyl-3-oxido-2,5-dihydro-1H-imidazol-2-yl]ethanone, 2-acetyl-4-(4-chlorophenyl)-1-hydroxy-2,5,5-trimethyl-2,5-dihydro-1H-imidazole 3-oxide
| Molecular Formula | C14H17ClN2O3 |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 2.428 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.09277 |
| Heavy Atoms | 20 |
| Complexity | 594.9415 |
Chemical Identifiers
| CAS Number | 423150-39-4 |
|---|---|
| SMILES | CC(=O)C1(N(C(C(=[N+]1[O-])C2=CC=C(C=C2)Cl)(C)C)O)C |
Product Overview
AB00099078-01 (CAS 423150-39-4), with molecular formula C14H17ClN2O3 and molecular weight 296.09 g/mol. IUPAC: 1-[5-(4-chlorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone.
Chemical Property Profile of AB00099078-01
Property Insights of AB00099078-01
The XLogP value of 2.428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00099078-01. The TPSA of 66.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00099078-01. Following Lipinski's Rule of Five, AB00099078-01 has 1 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 AB00099078-01?
The CAS number of AB00099078-01 is 423150-39-4.
What is the molecular formula of AB00099078-01?
The molecular formula of AB00099078-01 is C14H17ClN2O3.
What is the molecular weight of AB00099078-01?
The molecular weight of AB00099078-01 is 296.09 g/mol.
Where can I buy AB00099078-01?
You can request a quote for AB00099078-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00099078-01?
Yes, KEHONG BIO provides custom synthesis services for AB00099078-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.