BAS 00651564
TL;DR: BAS 00651564 (CAS 331867-58-4) is a chemical compound with molecular formula C19H17BrN4O3S and molecular weight 460.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-6-ethoxy-4-(3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Also Known As: BAS 00651564, 2-bromo-6-ethoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol, 2-bromo-6-ethoxy-4-(3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
| Molecular Formula | C19H17BrN4O3S |
|---|---|
| Molecular Weight | 460.02 g/mol |
| LogP | 4.6304 |
| Topological Polar Surface Area | 89.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.02048 |
| Heavy Atoms | 28 |
| Complexity | 1034.0558 |
Chemical Identifiers
| CAS Number | 331867-58-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)Br)O |
Product Overview
BAS 00651564 (CAS 331867-58-4), with molecular formula C19H17BrN4O3S and molecular weight 460.02 g/mol. IUPAC: 2-bromo-6-ethoxy-4-(3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol.
Chemical Property Profile of BAS 00651564
Property Insights of BAS 00651564
The XLogP value of 4.6304 indicates that BAS 00651564 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 00651564. Following Lipinski's Rule of Five, BAS 00651564 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00651564?
The CAS number of BAS 00651564 is 331867-58-4.
What is the molecular formula of BAS 00651564?
The molecular formula of BAS 00651564 is C19H17BrN4O3S.
What is the molecular weight of BAS 00651564?
The molecular weight of BAS 00651564 is 460.02 g/mol.
Where can I buy BAS 00651564?
You can request a quote for BAS 00651564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00651564?
Yes, KEHONG BIO provides custom synthesis services for BAS 00651564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.