6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
TL;DR: 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide (CAS 445021-06-7) is a chemical compound with molecular formula C23H13BrN4O3S and molecular weight 503.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
Also Known As: 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide, (6-bromo-2-phenyl(4-quinolyl))-N-(6-nitrobenzothiazol-2-yl)carboxamide, 6-bromo-N-{6-nitro-1,3-benzothiazol-2-yl}-2-phenyl-4-quinolinecarboxamide
| Molecular Formula | C23H13BrN4O3S |
|---|---|
| Molecular Weight | 503.99 g/mol |
| LogP | 6.4345 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.98917 |
| Heavy Atoms | 32 |
| Complexity | 1518.5648 |
Chemical Identifiers
| CAS Number | 445021-06-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-] |
Product Overview
6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide (CAS 445021-06-7), with molecular formula C23H13BrN4O3S and molecular weight 503.99 g/mol. IUPAC: 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide.
Chemical Property Profile of 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
Property Insights of 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
The XLogP value of 6.4345 indicates that 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide. Following Lipinski's Rule of Five, 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The CAS number of 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide is 445021-06-7.
What is the molecular formula of 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The molecular formula of 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide is C23H13BrN4O3S.
What is the molecular weight of 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The molecular weight of 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide is 503.99 g/mol.
Where can I buy 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide?
You can request a quote for 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.