![3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate structure](/static/products/4000/400076-76-8.webp)
3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate
TL;DR: 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate (CAS 400076-76-8) is a chemical compound with molecular formula C15H13ClN2O6 and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-2-(5-nitro-2-oxo-1-pyridinyl)propyl] 4-chlorobenzoate
Also Known As: 12F-955, [3-hydroxy-2-(5-nitro-2-oxopyridin-1-yl)propyl] 4-chlorobenzoate, 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate, 3-hydroxy-2-(5-nitro-2-oxo-1,2-dihydropyridin-1-yl)propyl 4-chlorobenzoate
| Molecular Formula | C15H13ClN2O6 |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 1.8003 |
| Topological Polar Surface Area | 111.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.0462 |
| Heavy Atoms | 24 |
| Complexity | 802.35675 |
Chemical Identifiers
| CAS Number | 400076-76-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC(CO)N2C=C(C=CC2=O)[N+](=O)[O-])Cl |
Product Overview
3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate (CAS 400076-76-8), with molecular formula C15H13ClN2O6 and molecular weight 352.05 g/mol. IUPAC: [3-hydroxy-2-(5-nitro-2-oxo-1-pyridinyl)propyl] 4-chlorobenzoate.
Chemical Property Profile of 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate
Property Insights of 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate
The XLogP value of 1.8003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate. The TPSA of 111.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate. Following Lipinski's Rule of Five, 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate has 1 hydrogen bond donor(s) and 6 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 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate?
The CAS number of 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate is 400076-76-8.
What is the molecular formula of 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate?
The molecular formula of 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate is C15H13ClN2O6.
What is the molecular weight of 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate?
The molecular weight of 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate is 352.05 g/mol.
Where can I buy 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate?
You can request a quote for 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-2-[5-nitro-2-oxo-1(2H)-pyridinyl]propyl 4-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.