BAS 13118809
TL;DR: BAS 13118809 (CAS 354786-39-3) is a chemical compound with molecular formula C24H27N5O3S and molecular weight 465.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[4-(diethylamino)-2-methoxyphenyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: BAS 13118809, AN-655/14858002, 1-[6-[4-(diethylamino)-2-methoxyphenyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-{6-[4-(diethylamino)-2-methoxyphenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone, 1-[6-[4-(DIETHYLAMINO)-2-METHOXYPHENYL]-3-(METHYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE
| Molecular Formula | C24H27N5O3S |
|---|---|
| Molecular Weight | 465.18 g/mol |
| LogP | 4.5594 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.18347 |
| Heavy Atoms | 33 |
| Complexity | 1168.5867 |
Chemical Identifiers
| CAS Number | 354786-39-3 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C)OC |
Product Overview
BAS 13118809 (CAS 354786-39-3), with molecular formula C24H27N5O3S and molecular weight 465.18 g/mol. IUPAC: 1-[6-[4-(diethylamino)-2-methoxyphenyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of BAS 13118809
Property Insights of BAS 13118809
The XLogP value of 4.5594 indicates that BAS 13118809 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13118809. Following Lipinski's Rule of Five, BAS 13118809 has 0 hydrogen bond donor(s) and 8 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 13118809?
The CAS number of BAS 13118809 is 354786-39-3.
What is the molecular formula of BAS 13118809?
The molecular formula of BAS 13118809 is C24H27N5O3S.
What is the molecular weight of BAS 13118809?
The molecular weight of BAS 13118809 is 465.18 g/mol.
Where can I buy BAS 13118809?
You can request a quote for BAS 13118809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13118809?
Yes, KEHONG BIO provides custom synthesis services for BAS 13118809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.