RefChem:563057
TL;DR: RefChem:563057 (CAS 85222-99-7) is a chemical compound with molecular formula C17H9ClF3N2O6S2- and molecular weight 492.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-(trifluoromethyl)benzenediazonium;naphthalene-1,5-disulfonate
Also Known As: 2-Chloro-5-(trifluoromethyl)benzenediazonium naphthalene-1,5-disulphonate (1:1), Benzenediazonium, 2-chloro-5-(trifluoromethyl)-, 1,5-naphthalenedisulfonate (1:1), 2-chloro-5-(trifluoromethyl)benzenediazonium; naphthalene-1,5-disulfonate, 2-Chloro-5-(trifluoromethyl)benzenediazonium naphthalene-1,5-disulfonate (1:1), 2-Chloro-5-(trifluoromethyl)benzenediazonium naphthalene-1,5-disulfonate(1:1)
| Molecular Formula | C17H9ClF3N2O6S2- |
|---|---|
| Molecular Weight | 492.95 g/mol |
| LogP | 4.49138 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 492.95425 |
| Heavy Atoms | 31 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 85222-99-7 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].C1=CC(=C(C=C1C(F)(F)F)[N+]#N)Cl |
| InChIKey | QGGFUCKTGADFDV-UHFFFAOYSA-L |
Product Overview
RefChem:563057 (CAS 85222-99-7), with molecular formula C17H9ClF3N2O6S2- and molecular weight 492.95 g/mol. IUPAC: 2-chloro-5-(trifluoromethyl)benzenediazonium;naphthalene-1,5-disulfonate.
Chemical Property Profile of RefChem:563057
Property Insights of RefChem:563057
The XLogP value of 4.49138 indicates that RefChem:563057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting RefChem:563057 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:563057 has 0 hydrogen bond donor(s) and 10 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:563057?
The CAS number of RefChem:563057 is 85222-99-7.
What is the molecular formula of RefChem:563057?
The molecular formula of RefChem:563057 is C17H9ClF3N2O6S2-.
What is the molecular weight of RefChem:563057?
The molecular weight of RefChem:563057 is 492.95 g/mol.
Where can I buy RefChem:563057?
You can request a quote for RefChem:563057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563057?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.