AB00112827-01
TL;DR: AB00112827-01 (CAS 430454-33-4) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(3-methoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one
Also Known As: AB00112827-01, AN-655/15260045, 1-[6-(3-methoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one, 1-[6-(3-METHOXYPHENYL)-3-(METHYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-PROPANONE, 6-(3-methoxyphenyl)-3-(methylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 4.1033 |
| Topological Polar Surface Area | 77.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1059.6011 |
Chemical Identifiers
| CAS Number | 430454-33-4 |
|---|---|
| SMILES | CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)OC |
Product Overview
AB00112827-01 (CAS 430454-33-4), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: 1-[6-(3-methoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one.
Chemical Property Profile of AB00112827-01
Property Insights of AB00112827-01
The XLogP value of 4.1033 indicates that AB00112827-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112827-01. Following Lipinski's Rule of Five, AB00112827-01 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 AB00112827-01?
The CAS number of AB00112827-01 is 430454-33-4.
What is the molecular formula of AB00112827-01?
The molecular formula of AB00112827-01 is C21H20N4O3S.
What is the molecular weight of AB00112827-01?
The molecular weight of AB00112827-01 is 408.13 g/mol.
Where can I buy AB00112827-01?
You can request a quote for AB00112827-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112827-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112827-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.