RefChem:318979
TL;DR: RefChem:318979 (CAS 94487-59-9) is a chemical compound with molecular formula C11H15ClN4O5 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[(2E)-2-[2-(5-nitrofuran-2-yl)-2-oxoethylidene]hydrazinyl]-2-oxoethyl]azanium chloride
Also Known As: Ammonium, (carboxymethyl)trimethyl-, chloride, ((5-nitro-2-furoyl)methylene)hydrazide, (Carboxymethyl)trimethylammonium chloride ((5-nitro-2-furoyl)methylene)hydrazide, RefChem:318979
| Molecular Formula | C11H15ClN4O5 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | -2.8173 |
| Topological Polar Surface Area | 114.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0731 |
| Heavy Atoms | 21 |
| Complexity | 561.20496 |
Chemical Identifiers
| CAS Number | 94487-59-9 |
|---|---|
| SMILES | C[N+](C)(C)CC(=O)N/N=C/C(=O)C1=CC=C(O1)[N+](=O)[O-].[Cl-] |
Product Overview
RefChem:318979 (CAS 94487-59-9), with molecular formula C11H15ClN4O5 and molecular weight 318.07 g/mol. IUPAC: trimethyl-[2-[(2E)-2-[2-(5-nitrofuran-2-yl)-2-oxoethylidene]hydrazinyl]-2-oxoethyl]azanium chloride.
Chemical Property Profile of RefChem:318979
Property Insights of RefChem:318979
The XLogP value of -2.8173 indicates that RefChem:318979 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.81 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:318979. Following Lipinski's Rule of Five, RefChem:318979 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 RefChem:318979?
The CAS number of RefChem:318979 is 94487-59-9.
What is the molecular formula of RefChem:318979?
The molecular formula of RefChem:318979 is C11H15ClN4O5.
What is the molecular weight of RefChem:318979?
The molecular weight of RefChem:318979 is 318.07 g/mol.
Where can I buy RefChem:318979?
You can request a quote for RefChem:318979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318979?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.