RefChem:1080322
TL;DR: RefChem:1080322 (CAS 37744-49-3) is a chemical compound with molecular formula C16H14FN5O6 and molecular weight 391.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-fluoro-3-pyridinyl)methyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]butanoate
Also Known As: (5-Fluoro-3-pyridinyl)methyl 3-((2,4-dinitrophenyl)hydrazono)butanoate, Butanoic acid, 3-((2,4-dinitrophenyl)hydrazono)-, (5-fluoro-3-pyridinyl)methyl ester, RefChem:1080322, BRN 1517873
| Molecular Formula | C16H14FN5O6 |
|---|---|
| Molecular Weight | 391.09 g/mol |
| LogP | 2.9584 |
| Topological Polar Surface Area | 149.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.0928 |
| Heavy Atoms | 28 |
| Complexity | 948.87213 |
Chemical Identifiers
| CAS Number | 37744-49-3 |
|---|---|
| SMILES | C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CC(=O)OCC2=CC(=CN=C2)F |
Product Overview
RefChem:1080322 (CAS 37744-49-3), with molecular formula C16H14FN5O6 and molecular weight 391.09 g/mol. IUPAC: (5-fluoro-3-pyridinyl)methyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]butanoate.
Chemical Property Profile of RefChem:1080322
Property Insights of RefChem:1080322
The XLogP value of 2.9584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1080322. The TPSA of 149.86 Ų indicates high polarity, suggesting RefChem:1080322 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1080322 has 1 hydrogen bond donor(s) and 9 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 RefChem:1080322?
The CAS number of RefChem:1080322 is 37744-49-3.
What is the molecular formula of RefChem:1080322?
The molecular formula of RefChem:1080322 is C16H14FN5O6.
What is the molecular weight of RefChem:1080322?
The molecular weight of RefChem:1080322 is 391.09 g/mol.
Where can I buy RefChem:1080322?
You can request a quote for RefChem:1080322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080322?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.