Antidepressant agent 1
TL;DR: Antidepressant agent 1 (CAS 67411-41-0) is a chemical compound with molecular formula C16H19BrN2 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-bromo-4-ethyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Also Known As: Antidepressant agent 1, BIM-0041847.P002, 12-bromo-4-ethyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene, N/A
| Molecular Formula | C16H19BrN2 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 4.1167 |
| Topological Polar Surface Area | 8.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.07315 |
| Heavy Atoms | 19 |
| Complexity | 643.7266 |
Chemical Identifiers
| CAS Number | 67411-41-0 |
|---|---|
| SMILES | CCN1CCN2C3=C(C=C(C=C3)Br)C4=C2C1CCC4 |
Product Overview
Antidepressant agent 1 (CAS 67411-41-0), with molecular formula C16H19BrN2 and molecular weight 318.07 g/mol. IUPAC: 12-bromo-4-ethyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene.
Chemical Property Profile of Antidepressant agent 1
Property Insights of Antidepressant agent 1
The XLogP value of 4.1167 indicates that Antidepressant agent 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.17 Ų, Antidepressant agent 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Antidepressant agent 1 has 0 hydrogen bond donor(s) and 1 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 Antidepressant agent 1?
The CAS number of Antidepressant agent 1 is 67411-41-0.
What is the molecular formula of Antidepressant agent 1?
The molecular formula of Antidepressant agent 1 is C16H19BrN2.
What is the molecular weight of Antidepressant agent 1?
The molecular weight of Antidepressant agent 1 is 318.07 g/mol.
Where can I buy Antidepressant agent 1?
You can request a quote for Antidepressant agent 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antidepressant agent 1?
Yes, KEHONG BIO provides custom synthesis services for Antidepressant agent 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.