2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate
TL;DR: 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate (CAS 182868-75-3) is a chemical compound with molecular formula C10H12INO6S and molecular weight 400.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-hydroxy-3-iodo-2-methylpropyl] 4-nitrobenzenesulfonate
Also Known As: 2-Himpnbs, KST-1A2190, (R)-2-Hydroxy-3-iodo-2-methylpropyl 4-nitrobenzenesulfonate, 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate, [(2R)-2-hydroxy-3-iodo-2-methylpropyl] 4-nitrobenzenesulfonate
| Molecular Formula | C10H12INO6S |
|---|---|
| Molecular Weight | 400.94 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.94302 |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 182868-75-3 |
|---|---|
| SMILES | C[C@@](COS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])(CI)O |
| InChIKey | RGHMHAJGYNTVAZ-JTQLQIEISA-N |
Product Overview
2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate (CAS 182868-75-3), with molecular formula C10H12INO6S and molecular weight 400.94 g/mol. IUPAC: [(2R)-2-hydroxy-3-iodo-2-methylpropyl] 4-nitrobenzenesulfonate.
Chemical Property Profile of 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate
Property Insights of 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate 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 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate?
The CAS number of 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate is 182868-75-3.
What is the molecular formula of 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate?
The molecular formula of 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate is C10H12INO6S.
What is the molecular weight of 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate?
The molecular weight of 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate is 400.94 g/mol.
Where can I buy 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate?
You can request a quote for 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-3-iodo-2-methylpropyl-4-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.