Dembrexine
TL;DR: Dembrexine (CAS 83200-09-3) is a chemical compound with molecular formula C13H17Br2NO2 and molecular weight 376.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dibromo-6-[[(4-hydroxycyclohexyl)amino]methyl]phenol
Also Known As: Dembrexine, Dembrexina, Dembroxol, Dembrexinum, Dembroxolum
| Molecular Formula | C13H17Br2NO2 |
|---|---|
| Molecular Weight | 376.96 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.96054 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 83200-09-3 |
|---|---|
| SMILES | C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)O)O |
| InChIKey | GEDPQKGMHLHFOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dembrexine (CAS 83200-09-3), with molecular formula C13H17Br2NO2 and molecular weight 376.96 g/mol. IUPAC: 2,4-dibromo-6-[[(4-hydroxycyclohexyl)amino]methyl]phenol.
Chemical Property Profile of Dembrexine
Property Insights of Dembrexine
The XLogP value of 3.0 indicates that Dembrexine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, Dembrexine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dembrexine has 3 hydrogen bond donor(s) and 3 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 Dembrexine?
The CAS number of Dembrexine is 83200-09-3.
What is the molecular formula of Dembrexine?
The molecular formula of Dembrexine is C13H17Br2NO2.
What is the molecular weight of Dembrexine?
The molecular weight of Dembrexine is 376.96 g/mol.
Where can I buy Dembrexine?
You can request a quote for Dembrexine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dembrexine?
Yes, KEHONG BIO provides custom synthesis services for Dembrexine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.