BAS 00366165
TL;DR: BAS 00366165 (CAS 331263-46-8) is a chemical compound with molecular formula C21H15BrN4O2S and molecular weight 466.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[5-(4-bromophenyl)furan-2-yl]-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: BAS 00366165, 6-[5-(4-bromophenyl)furan-2-yl]-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-[5-(4-bromophenyl)-2-furyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl methyl sulfide
| Molecular Formula | C21H15BrN4O2S |
|---|---|
| Molecular Weight | 466.01 g/mol |
| LogP | 5.7861 |
| Topological Polar Surface Area | 73.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.00992 |
| Heavy Atoms | 29 |
| Complexity | 1179.532 |
Chemical Identifiers
| CAS Number | 331263-46-8 |
|---|---|
| SMILES | CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=C(C=C5)Br)N=N1 |
Product Overview
BAS 00366165 (CAS 331263-46-8), with molecular formula C21H15BrN4O2S and molecular weight 466.01 g/mol. IUPAC: 6-[5-(4-bromophenyl)furan-2-yl]-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of BAS 00366165
Property Insights of BAS 00366165
The XLogP value of 5.7861 indicates that BAS 00366165 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00366165. Following Lipinski's Rule of Five, BAS 00366165 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 BAS 00366165?
The CAS number of BAS 00366165 is 331263-46-8.
What is the molecular formula of BAS 00366165?
The molecular formula of BAS 00366165 is C21H15BrN4O2S.
What is the molecular weight of BAS 00366165?
The molecular weight of BAS 00366165 is 466.01 g/mol.
Where can I buy BAS 00366165?
You can request a quote for BAS 00366165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00366165?
Yes, KEHONG BIO provides custom synthesis services for BAS 00366165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.