BAS 00550152
TL;DR: BAS 00550152 (CAS 331749-74-7) is a chemical compound with molecular formula C21H21BrN4O3S and molecular weight 488.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-ethoxy-6-(3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Also Known As: BAS 00550152, 4-bromo-2-ethoxy-6-(3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol, 4-bromo-2-ethoxy-6-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
| Molecular Formula | C21H21BrN4O3S |
|---|---|
| Molecular Weight | 488.05 g/mol |
| LogP | 5.4106 |
| Topological Polar Surface Area | 89.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.05176 |
| Heavy Atoms | 30 |
| Complexity | 1066.4166 |
Chemical Identifiers
| CAS Number | 331749-74-7 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C(=CC(=C4)Br)OCC)O)N=N1 |
Product Overview
BAS 00550152 (CAS 331749-74-7), with molecular formula C21H21BrN4O3S and molecular weight 488.05 g/mol. IUPAC: 4-bromo-2-ethoxy-6-(3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol.
Chemical Property Profile of BAS 00550152
Property Insights of BAS 00550152
The XLogP value of 5.4106 indicates that BAS 00550152 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00550152. Following Lipinski's Rule of Five, BAS 00550152 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00550152?
The CAS number of BAS 00550152 is 331749-74-7.
What is the molecular formula of BAS 00550152?
The molecular formula of BAS 00550152 is C21H21BrN4O3S.
What is the molecular weight of BAS 00550152?
The molecular weight of BAS 00550152 is 488.05 g/mol.
Where can I buy BAS 00550152?
You can request a quote for BAS 00550152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00550152?
Yes, KEHONG BIO provides custom synthesis services for BAS 00550152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.