BAS 15426953
TL;DR: BAS 15426953 (CAS 488109-41-7) is a chemical compound with molecular formula C20H13N7S2 and molecular weight 415.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methylsulfanyl]-1,3-benzothiazole
Also Known As: BAS 15426953, AE-848/41541436, 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]thiazole
| Molecular Formula | C20H13N7S2 |
|---|---|
| Molecular Weight | 415.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.06738 |
| Heavy Atoms | 29 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 488109-41-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6S5 |
| InChIKey | HKEDVODTIQPIFI-UHFFFAOYSA-N |
Product Overview
BAS 15426953 (CAS 488109-41-7), with molecular formula C20H13N7S2 and molecular weight 415.07 g/mol. IUPAC: 2-[(10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of BAS 15426953
Property Insights of BAS 15426953
The XLogP value of 4.6 indicates that BAS 15426953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 15426953. Following Lipinski's Rule of Five, BAS 15426953 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 BAS 15426953?
The CAS number of BAS 15426953 is 488109-41-7.
What is the molecular formula of BAS 15426953?
The molecular formula of BAS 15426953 is C20H13N7S2.
What is the molecular weight of BAS 15426953?
The molecular weight of BAS 15426953 is 415.07 g/mol.
Where can I buy BAS 15426953?
You can request a quote for BAS 15426953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 15426953?
Yes, KEHONG BIO provides custom synthesis services for BAS 15426953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.