BAS 05621288
TL;DR: BAS 05621288 (CAS 486995-46-4) is a chemical compound with molecular formula C20H20N4O2S2 and molecular weight 412.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-methylsulfanyl-6-(3-methylthiophen-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one
Also Known As: BAS 05621288, AN-655/40856439, 1-[3-methylsulfanyl-6-(3-methylthiophen-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one, 1-[3-(METHYLSULFANYL)-6-(3-METHYL-2-THIENYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-BUTANONE, 7-butyryl-6-(3-methyl-2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl methyl sulfide
| Molecular Formula | C20H20N4O2S2 |
|---|---|
| Molecular Weight | 412.10 g/mol |
| LogP | 4.85472 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.10278 |
| Heavy Atoms | 28 |
| Complexity | 1020.9452 |
Chemical Identifiers
| CAS Number | 486995-46-4 |
|---|---|
| SMILES | CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CS4)C |
Product Overview
BAS 05621288 (CAS 486995-46-4), with molecular formula C20H20N4O2S2 and molecular weight 412.10 g/mol. IUPAC: 1-[3-methylsulfanyl-6-(3-methylthiophen-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one.
Chemical Property Profile of BAS 05621288
Property Insights of BAS 05621288
The XLogP value of 4.85472 indicates that BAS 05621288 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05621288. Following Lipinski's Rule of Five, BAS 05621288 has 0 hydrogen bond donor(s) and 7 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 05621288?
The CAS number of BAS 05621288 is 486995-46-4.
What is the molecular formula of BAS 05621288?
The molecular formula of BAS 05621288 is C20H20N4O2S2.
What is the molecular weight of BAS 05621288?
The molecular weight of BAS 05621288 is 412.10 g/mol.
Where can I buy BAS 05621288?
You can request a quote for BAS 05621288 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05621288?
Yes, KEHONG BIO provides custom synthesis services for BAS 05621288 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.