NCIOpen2_002274
TL;DR: NCIOpen2_002274 (CAS 82185-40-8) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-benzoyl-4-cyclohexyl-1,2-oxazol-5-one
Also Known As: NCIOpen2_002274, 3-amino-2-benzoyl-4-cyclohexyl-1,2-oxazol-5(2h)-one, 3-amino-2-benzoyl-4-cyclohexyl-1,2-oxazol-5-one, 3-amino-2-benzoyl-4-cyclohexyl-isoxazol-5-one, 3-Amino-2-benzoyl-4-cyclohexylisoxazol-5(2H)-one
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 82185-40-8 |
|---|---|
| SMILES | C1CCC(CC1)C2=C(N(OC2=O)C(=O)C3=CC=CC=C3)N |
| InChIKey | NREPPDQFCHUMCY-UHFFFAOYSA-N |
Product Overview
NCIOpen2_002274 (CAS 82185-40-8), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: 3-amino-2-benzoyl-4-cyclohexyl-1,2-oxazol-5-one.
Chemical Property Profile of NCIOpen2_002274
Property Insights of NCIOpen2_002274
The XLogP value of 4.0 indicates that NCIOpen2_002274 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_002274. Following Lipinski's Rule of Five, NCIOpen2_002274 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 NCIOpen2_002274?
The CAS number of NCIOpen2_002274 is 82185-40-8.
What is the molecular formula of NCIOpen2_002274?
The molecular formula of NCIOpen2_002274 is C16H18N2O3.
What is the molecular weight of NCIOpen2_002274?
The molecular weight of NCIOpen2_002274 is 286.13 g/mol.
Where can I buy NCIOpen2_002274?
You can request a quote for NCIOpen2_002274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_002274?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_002274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.