AB01279148-01
TL;DR: AB01279148-01 (CAS 486996-40-1) is a chemical compound with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-benzylsulfanyl-6-methyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)ethanone
Also Known As: AB01279148-01, AN-655/41031048, 1-(3-benzylsulfanyl-6-methyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)ethanone, 1-[3-(benzylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 7-acetyl-6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl benzyl sulfide
| Molecular Formula | C20H18N4O2S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 3.9222 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.11505 |
| Heavy Atoms | 27 |
| Complexity | 980.7255 |
Chemical Identifiers
| CAS Number | 486996-40-1 |
|---|---|
| SMILES | CC1N(C2=CC=CC=C2C3=C(O1)N=C(N=N3)SCC4=CC=CC=C4)C(=O)C |
Product Overview
AB01279148-01 (CAS 486996-40-1), with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol. IUPAC: 1-(3-benzylsulfanyl-6-methyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)ethanone.
Chemical Property Profile of AB01279148-01
Property Insights of AB01279148-01
The XLogP value of 3.9222 indicates that AB01279148-01 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 AB01279148-01. Following Lipinski's Rule of Five, AB01279148-01 has 0 hydrogen bond donor(s) and 6 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 AB01279148-01?
The CAS number of AB01279148-01 is 486996-40-1.
What is the molecular formula of AB01279148-01?
The molecular formula of AB01279148-01 is C20H18N4O2S.
What is the molecular weight of AB01279148-01?
The molecular weight of AB01279148-01 is 378.12 g/mol.
Where can I buy AB01279148-01?
You can request a quote for AB01279148-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01279148-01?
Yes, KEHONG BIO provides custom synthesis services for AB01279148-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.