氨溴索
TL;DR: 氨溴索 (CAS 18683-91-5) is a chemical compound with molecular formula C13H18Br2N2O and molecular weight 375.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨溴索
4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol
Also Known As: ambroxol, rac-cis-Ambroxol, Ambroxol EP Impurity D, Ambroxol Base, Ambroxol hydrochloride
| Molecular Formula | C13H18Br2N2O |
|---|---|
| Molecular Weight | 375.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.97653 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
| Solubility | >56.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 18683-91-5 |
|---|---|
| SMILES | C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O |
| InChIKey | JBDGDEWWOUBZPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氨溴索 (CAS 18683-91-5), with molecular formula C13H18Br2N2O and molecular weight 375.98 g/mol. IUPAC: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol.
Chemical Property Profile of 氨溴索
Property Insights of 氨溴索
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氨溴索. With a topological polar surface area (TPSA) of 58.3 Ų, 氨溴索 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氨溴索 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 氨溴索?
The CAS number of 氨溴索 is 18683-91-5.
What is the molecular formula of 氨溴索?
The molecular formula of 氨溴索 is C13H18Br2N2O.
What is the molecular weight of 氨溴索?
The molecular weight of 氨溴索 is 375.98 g/mol.
Where can I buy 氨溴索?
You can request a quote for 氨溴索 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨溴索?
Yes, KEHONG BIO provides custom synthesis services for 氨溴索 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.