AB00113055-01
TL;DR: AB00113055-01 (CAS 354786-12-2) is a chemical compound with molecular formula C21H23N5O2S and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-butylsulfanyl-6-(1-methylpyrrol-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AB00113055-01, AN-655/14767035, 1-[3-butylsulfanyl-6-(1-methylpyrrol-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[3-(butylsulfanyl)-6-(1-methyl-1H-pyrrol-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 7-acetyl-3-(butylsulfanyl)-6-(1-methyl-1H-pyrrol-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C21H23N5O2S |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 4.2134 |
| Topological Polar Surface Area | 73.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.15726 |
| Heavy Atoms | 29 |
| Complexity | 1035.4159 |
Chemical Identifiers
| CAS Number | 354786-12-2 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CN4C)C(=O)C)N=N1 |
Product Overview
AB00113055-01 (CAS 354786-12-2), with molecular formula C21H23N5O2S and molecular weight 409.16 g/mol. IUPAC: 1-[3-butylsulfanyl-6-(1-methylpyrrol-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AB00113055-01
Property Insights of AB00113055-01
The XLogP value of 4.2134 indicates that AB00113055-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00113055-01. Following Lipinski's Rule of Five, AB00113055-01 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 AB00113055-01?
The CAS number of AB00113055-01 is 354786-12-2.
What is the molecular formula of AB00113055-01?
The molecular formula of AB00113055-01 is C21H23N5O2S.
What is the molecular weight of AB00113055-01?
The molecular weight of AB00113055-01 is 409.16 g/mol.
Where can I buy AB00113055-01?
You can request a quote for AB00113055-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113055-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113055-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.