洛克沙砷
TL;DR: 洛克沙砷 (CAS 121-19-7) is a chemical compound with molecular formula C6H6AsNO6 and molecular weight 262.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
洛克沙砷
(4-hydroxy-3-nitrophenyl)arsonic acid
Also Known As: roxarsone, Ristat, 3-Nitro, Roxarson, Roxarsonum
| Molecular Formula | C6H6AsNO6 |
|---|---|
| Molecular Weight | 262.94 g/mol |
| LogP | -1.14 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.9411 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
| Melting Point | greater than 300.0 °C |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 121-19-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O |
| InChIKey | XMVJITFPVVRMHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
洛克沙砷 (CAS 121-19-7), with molecular formula C6H6AsNO6 and molecular weight 262.94 g/mol. IUPAC: (4-hydroxy-3-nitrophenyl)arsonic acid.
Chemical Property Profile of 洛克沙砷
Property Insights of 洛克沙砷
The XLogP value of -1.14 indicates that 洛克沙砷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 洛克沙砷. Following Lipinski's Rule of Five, 洛克沙砷 has 3 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 洛克沙砷?
The CAS number of 洛克沙砷 is 121-19-7.
What is the molecular formula of 洛克沙砷?
The molecular formula of 洛克沙砷 is C6H6AsNO6.
What is the molecular weight of 洛克沙砷?
The molecular weight of 洛克沙砷 is 262.94 g/mol.
Where can I buy 洛克沙砷?
You can request a quote for 洛克沙砷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 洛克沙砷?
Yes, KEHONG BIO provides custom synthesis services for 洛克沙砷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.