2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
TL;DR: 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide (CAS 444926-99-2) is a chemical compound with molecular formula C28H25N3O4S2 and molecular weight 531.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
Also Known As: 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide, 2-(4-butoxyphenyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-quinolinecarboxamide, 2-(4-butoxyphenyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]quinoline-4-carboxamide
| Molecular Formula | C28H25N3O4S2 |
|---|---|
| Molecular Weight | 531.13 g/mol |
| LogP | 6.3462 |
| Topological Polar Surface Area | 98.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.12866 |
| Heavy Atoms | 37 |
| Complexity | 1711.4036 |
Chemical Identifiers
| CAS Number | 444926-99-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C |
Product Overview
2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide (CAS 444926-99-2), with molecular formula C28H25N3O4S2 and molecular weight 531.13 g/mol. IUPAC: 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide.
Chemical Property Profile of 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
Property Insights of 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
The XLogP value of 6.3462 indicates that 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide. Following Lipinski's Rule of Five, 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The CAS number of 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is 444926-99-2.
What is the molecular formula of 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The molecular formula of 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is C28H25N3O4S2.
What is the molecular weight of 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The molecular weight of 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is 531.13 g/mol.
Where can I buy 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
You can request a quote for 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.