溴己新
TL;DR: 溴己新 (CAS 3572-43-8) is a chemical compound with molecular formula C14H20Br2N2 and molecular weight 374.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴己新
2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline
Also Known As: bromhexine, Bromhexina, Bromexine, Bromhexinum, Fluibron
| Molecular Formula | C14H20Br2N2 |
|---|---|
| Molecular Weight | 374.00 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.99728 |
| Heavy Atoms | 18 |
| Complexity | 256.0 |
| Melting Point | 232-235 |
| Boiling Point | 413.8 |
| Solubility | <1 mg/mL |
Chemical Identifiers
| CAS Number | 3572-43-8 |
|---|---|
| SMILES | CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2 |
| InChIKey | OJGDCBLYJGHCIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴己新 (CAS 3572-43-8), with molecular formula C14H20Br2N2 and molecular weight 374.00 g/mol. IUPAC: 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline.
Chemical Property Profile of 溴己新
Property Insights of 溴己新
The XLogP value of 4.3 indicates that 溴己新 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.3 Ų, 溴己新 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴己新 has 1 hydrogen bond donor(s) and 2 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 溴己新?
The CAS number of 溴己新 is 3572-43-8.
What is the molecular formula of 溴己新?
The molecular formula of 溴己新 is C14H20Br2N2.
What is the molecular weight of 溴己新?
The molecular weight of 溴己新 is 374.00 g/mol.
Where can I buy 溴己新?
You can request a quote for 溴己新 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴己新?
Yes, KEHONG BIO provides custom synthesis services for 溴己新 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.