ChemDiv1_023279
TL;DR: ChemDiv1_023279 (CAS 130824-83-8) is a chemical compound with molecular formula C21H21BrN2 and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-12-bromo-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Also Known As: ChemDiv1_023279, 3-Benzyl-8-bromo-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole, BAS 00386713, BIM-0018980.P001, AH-262/02661033
| Molecular Formula | C21H21BrN2 |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 5.297 |
| Topological Polar Surface Area | 8.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.0888 |
| Heavy Atoms | 24 |
| Complexity | 897.0928 |
Chemical Identifiers
| CAS Number | 130824-83-8 |
|---|---|
| SMILES | C1CC2C3=C(C1)C4=C(N3CCN2CC5=CC=CC=C5)C=CC(=C4)Br |
Product Overview
ChemDiv1_023279 (CAS 130824-83-8), with molecular formula C21H21BrN2 and molecular weight 380.09 g/mol. IUPAC: 4-benzyl-12-bromo-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene.
Chemical Property Profile of ChemDiv1_023279
Property Insights of ChemDiv1_023279
The XLogP value of 5.297 indicates that ChemDiv1_023279 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.17 Ų, ChemDiv1_023279 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023279 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023279?
The CAS number of ChemDiv1_023279 is 130824-83-8.
What is the molecular formula of ChemDiv1_023279?
The molecular formula of ChemDiv1_023279 is C21H21BrN2.
What is the molecular weight of ChemDiv1_023279?
The molecular weight of ChemDiv1_023279 is 380.09 g/mol.
Where can I buy ChemDiv1_023279?
You can request a quote for ChemDiv1_023279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023279?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.