BAS 11174251
TL;DR: BAS 11174251 (CAS 838897-68-0) is a chemical compound with molecular formula C22H22FN5OS and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine
Also Known As: BAS 11174251, 4-[2-[(5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine, 4-[2-[[8-fluoro-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]ethyl]morpholine, BRD-K63350243-001-01-3, 4-(2-((5-benzyl-8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)ethyl)morpholine
| Molecular Formula | C22H22FN5OS |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 3.5912 |
| Topological Polar Surface Area | 56.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.15292 |
| Heavy Atoms | 30 |
| Complexity | 1160.5898 |
Chemical Identifiers
| CAS Number | 838897-68-0 |
|---|---|
| SMILES | C1COCCN1CCSC2=NC3=C(C4=C(N3CC5=CC=CC=C5)C=CC(=C4)F)N=N2 |
Product Overview
BAS 11174251 (CAS 838897-68-0), with molecular formula C22H22FN5OS and molecular weight 423.15 g/mol. IUPAC: 4-[2-[(5-benzyl-8-fluoro-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine.
Chemical Property Profile of BAS 11174251
Property Insights of BAS 11174251
The XLogP value of 3.5912 indicates that BAS 11174251 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.07 Ų, BAS 11174251 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11174251 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 BAS 11174251?
The CAS number of BAS 11174251 is 838897-68-0.
What is the molecular formula of BAS 11174251?
The molecular formula of BAS 11174251 is C22H22FN5OS.
What is the molecular weight of BAS 11174251?
The molecular weight of BAS 11174251 is 423.15 g/mol.
Where can I buy BAS 11174251?
You can request a quote for BAS 11174251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11174251?
Yes, KEHONG BIO provides custom synthesis services for BAS 11174251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.