Rebalance
TL;DR: Rebalance (CAS 87155-33-7) is a chemical compound with molecular formula C22H23ClN8O2S and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-pyrimidin-2-ylbenzenesulfonamide;5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
Also Known As: Rebalance, Daraprim / sulfadiazine, Tindurin & Adiazin, Pyrimethamine / sulfadiazine, Sulfadiazine / Pyrimethamine
| Molecular Formula | C22H23ClN8O2S |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 3.3834 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.1353 |
| Heavy Atoms | 34 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 87155-33-7 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N |
| InChIKey | XIRVBAPVROALIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rebalance (CAS 87155-33-7), with molecular formula C22H23ClN8O2S and molecular weight 498.14 g/mol. IUPAC: 4-amino-N-pyrimidin-2-ylbenzenesulfonamide;5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine.
Chemical Property Profile of Rebalance
Property Insights of Rebalance
The XLogP value of 3.3834 indicates that Rebalance is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.0 Ų indicates high polarity, suggesting Rebalance may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rebalance has 4 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 Rebalance?
The CAS number of Rebalance is 87155-33-7.
What is the molecular formula of Rebalance?
The molecular formula of Rebalance is C22H23ClN8O2S.
What is the molecular weight of Rebalance?
The molecular weight of Rebalance is 498.14 g/mol.
Where can I buy Rebalance?
You can request a quote for Rebalance directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rebalance?
Yes, KEHONG BIO provides custom synthesis services for Rebalance and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.