RefChem:828047
TL;DR: RefChem:828047 (CAS 476483-19-9) is a chemical compound with molecular formula C27H26BrN3O3S and molecular weight 551.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-bromo-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Also Known As: N-(5-Bromobenzo[d]thiazol-2-yl)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide, N-(5-BROMO-1,3-BENZOTHIAZOL-2-YL)-4-(4-METHOXYPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE, 648-355-6, N-(5-bromo-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide, RefChem:828047
| Molecular Formula | C27H26BrN3O3S |
|---|---|
| Molecular Weight | 551.09 g/mol |
| LogP | 6.3101 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 551.0878 |
| Heavy Atoms | 35 |
| Complexity | 1419.1991 |
Chemical Identifiers
| CAS Number | 476483-19-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC)C(=O)NC4=NC5=C(S4)C=CC(=C5)Br |
Product Overview
RefChem:828047 (CAS 476483-19-9), with molecular formula C27H26BrN3O3S and molecular weight 551.09 g/mol. IUPAC: N-(5-bromo-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide.
Chemical Property Profile of RefChem:828047
Property Insights of RefChem:828047
The XLogP value of 6.3101 indicates that RefChem:828047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:828047. Following Lipinski's Rule of Five, RefChem:828047 has 2 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 RefChem:828047?
The CAS number of RefChem:828047 is 476483-19-9.
What is the molecular formula of RefChem:828047?
The molecular formula of RefChem:828047 is C27H26BrN3O3S.
What is the molecular weight of RefChem:828047?
The molecular weight of RefChem:828047 is 551.09 g/mol.
Where can I buy RefChem:828047?
You can request a quote for RefChem:828047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:828047?
Yes, KEHONG BIO provides custom synthesis services for RefChem:828047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.