RefChem:564644
TL;DR: RefChem:564644 (CAS 68239-03-2) is a chemical compound with molecular formula C16H24N4O9S2 and molecular weight 480.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;4-hydroxy-3-[[(2-hydroxy-5-sulfophenyl)methylcarbamoylamino]methyl]-5-methylbenzenesulfonic acid
Also Known As: 3,5,5-Trimethylhexyl formate, 4-hydroxy-3-({[(2-hydroxy-5-sulfobenzyl)carbamoyl]amino}methyl)-5-methylbenzenesulfonic acid diammoniate, Benzenesulfonic acid, 4-hydroxy-3-((((((2-hydroxy-5-sulfophenyl)methyl)amino)carbonyl)amino)methyl)-5-methyl-, ammonium salt (1:2), Benzenesulfonic acid, 4-hydroxy-3-((((((2-hydroxy-5-sulfophenyl)methyl)amino)carbonyl)amino)methyl)-5-methyl-, diammonium salt, Benzenesulfonic acid, 4-hydroxy-3-[[[[[(2-hydroxy-5-sulfophenyl)methyl]amino]carbonyl]amino]methyl]-5-methyl-, diammonium salt
| Molecular Formula | C16H24N4O9S2 |
|---|---|
| Molecular Weight | 480.10 g/mol |
| LogP | 1.22 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.09848 |
| Heavy Atoms | 31 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 68239-03-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)CNC(=O)NCC2=C(C=CC(=C2)S(=O)(=O)O)O)S(=O)(=O)O.N.N |
| InChIKey | SZPGNGYOHQMTJL-UHFFFAOYSA-N |
Product Overview
RefChem:564644 (CAS 68239-03-2), with molecular formula C16H24N4O9S2 and molecular weight 480.10 g/mol. IUPAC: azane;4-hydroxy-3-[[(2-hydroxy-5-sulfophenyl)methylcarbamoylamino]methyl]-5-methylbenzenesulfonic acid.
Chemical Property Profile of RefChem:564644
Property Insights of RefChem:564644
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:564644. The TPSA of 209.0 Ų indicates high polarity, suggesting RefChem:564644 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564644 has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:564644?
The CAS number of RefChem:564644 is 68239-03-2.
What is the molecular formula of RefChem:564644?
The molecular formula of RefChem:564644 is C16H24N4O9S2.
What is the molecular weight of RefChem:564644?
The molecular weight of RefChem:564644 is 480.10 g/mol.
Where can I buy RefChem:564644?
You can request a quote for RefChem:564644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564644?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.