BAS 00230978
TL;DR: BAS 00230978 (CAS 5305-36-2) is a chemical compound with molecular formula C16H9BrCl2N6 and molecular weight 433.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Also Known As: BAS 00230978, BIM-0016607.P001, 8-Bromo-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine, 2,4-dichlorobenzaldehyde (8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone, (2E)-1-{8-BROMO-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}-2-[(2,4-DICHLOROPHENYL)METHYLIDENE]HYDRAZINE
| Molecular Formula | C16H9BrCl2N6 |
|---|---|
| Molecular Weight | 433.94 g/mol |
| LogP | 5.0214 |
| Topological Polar Surface Area | 78.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.94492 |
| Heavy Atoms | 25 |
| Complexity | 1124.4675 |
Chemical Identifiers
| CAS Number | 5305-36-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)/C=N/NC2=NC3=C(C4=C(N3)C=CC(=C4)Br)N=N2 |
Product Overview
BAS 00230978 (CAS 5305-36-2), with molecular formula C16H9BrCl2N6 and molecular weight 433.94 g/mol. IUPAC: 8-bromo-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
Chemical Property Profile of BAS 00230978
Property Insights of BAS 00230978
The XLogP value of 5.0214 indicates that BAS 00230978 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00230978. Following Lipinski's Rule of Five, BAS 00230978 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00230978?
The CAS number of BAS 00230978 is 5305-36-2.
What is the molecular formula of BAS 00230978?
The molecular formula of BAS 00230978 is C16H9BrCl2N6.
What is the molecular weight of BAS 00230978?
The molecular weight of BAS 00230978 is 433.94 g/mol.
Where can I buy BAS 00230978?
You can request a quote for BAS 00230978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00230978?
Yes, KEHONG BIO provides custom synthesis services for BAS 00230978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.