C16H16ClNO4
TL;DR: C16H16ClNO4 (CAS 338422-55-2) is a chemical compound with molecular formula C16H16ClNO4 and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-2-[(4-hydroxy-1,2-oxazolidin-2-yl)methylidene]cyclohexane-1,3-dione
Also Known As: 5-(4-chlorophenyl)-2-{[4-hydroxydihydro-2(3H)-isoxazolyl]methylene}-1,3-cyclohexanedione, 5-(4-chlorophenyl)-2-[(4-hydroxy-1,2-oxazolidin-2-yl)methylidene]cyclohexane-1,3-dione, 4H-939
| Molecular Formula | C16H16ClNO4 |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 1.8476 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.07678 |
| Heavy Atoms | 22 |
| Complexity | 605.5379 |
Chemical Identifiers
| CAS Number | 338422-55-2 |
|---|---|
| SMILES | C1C(CC(=O)C(=CN2CC(CO2)O)C1=O)C3=CC=C(C=C3)Cl |
Product Overview
C16H16ClNO4 (CAS 338422-55-2), with molecular formula C16H16ClNO4 and molecular weight 321.08 g/mol. IUPAC: 5-(4-chlorophenyl)-2-[(4-hydroxy-1,2-oxazolidin-2-yl)methylidene]cyclohexane-1,3-dione.
Chemical Property Profile of C16H16ClNO4
Property Insights of C16H16ClNO4
The XLogP value of 1.8476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H16ClNO4. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H16ClNO4. Following Lipinski's Rule of Five, C16H16ClNO4 has 1 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 C16H16ClNO4?
The CAS number of C16H16ClNO4 is 338422-55-2.
What is the molecular formula of C16H16ClNO4?
The molecular formula of C16H16ClNO4 is C16H16ClNO4.
What is the molecular weight of C16H16ClNO4?
The molecular weight of C16H16ClNO4 is 321.08 g/mol.
Where can I buy C16H16ClNO4?
You can request a quote for C16H16ClNO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H16ClNO4?
Yes, KEHONG BIO provides custom synthesis services for C16H16ClNO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.