C18H16BrN7
TL;DR: C18H16BrN7 (CAS 113387-47-6) is a chemical compound with molecular formula C18H16BrN7 and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Also Known As: BAS 00230982, BIM-0016814.P001, (E)-4-((2-(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazono)methyl)-N,N-dimethylaniline, 4-[(E)-(2-{8-BROMO-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}HYDRAZIN-1-YLIDENE)METHYL]-N,N-DIMETHYLANILINE, 4-{(E)-[2-(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-N,N-dimethylaniline
| Molecular Formula | C18H16BrN7 |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 3.7806 |
| Topological Polar Surface Area | 82.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.06506 |
| Heavy Atoms | 26 |
| Complexity | 1099.8871 |
Chemical Identifiers
| CAS Number | 113387-47-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=N/NC2=NC3=C(C4=C(N3)C=CC(=C4)Br)N=N2 |
Product Overview
C18H16BrN7 (CAS 113387-47-6), with molecular formula C18H16BrN7 and molecular weight 409.07 g/mol. IUPAC: 8-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
Chemical Property Profile of C18H16BrN7
Property Insights of C18H16BrN7
The XLogP value of 3.7806 indicates that C18H16BrN7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.09 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H16BrN7. Following Lipinski's Rule of Five, C18H16BrN7 has 2 hydrogen bond donor(s) and 6 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 C18H16BrN7?
The CAS number of C18H16BrN7 is 113387-47-6.
What is the molecular formula of C18H16BrN7?
The molecular formula of C18H16BrN7 is C18H16BrN7.
What is the molecular weight of C18H16BrN7?
The molecular weight of C18H16BrN7 is 409.07 g/mol.
Where can I buy C18H16BrN7?
You can request a quote for C18H16BrN7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H16BrN7?
Yes, KEHONG BIO provides custom synthesis services for C18H16BrN7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.