BAS 00569861
TL;DR: BAS 00569861 (CAS 301331-56-6) is a chemical compound with molecular formula C14H16N4S and molecular weight 272.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-5-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: BAS 00569861, 5-ethyl-3-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, AE-848/08054005, 7-ethyl-5-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene, 5-ethyl-3-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C14H16N4S |
|---|---|
| Molecular Weight | 272.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.10956 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 301331-56-6 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N14)C |
| InChIKey | NZTRTWQWSSKDFS-UHFFFAOYSA-N |
Product Overview
BAS 00569861 (CAS 301331-56-6), with molecular formula C14H16N4S and molecular weight 272.11 g/mol. IUPAC: 7-ethyl-5-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of BAS 00569861
Property Insights of BAS 00569861
The XLogP value of 4.3 indicates that BAS 00569861 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00569861. Following Lipinski's Rule of Five, BAS 00569861 has 0 hydrogen bond donor(s) and 4 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 00569861?
The CAS number of BAS 00569861 is 301331-56-6.
What is the molecular formula of BAS 00569861?
The molecular formula of BAS 00569861 is C14H16N4S.
What is the molecular weight of BAS 00569861?
The molecular weight of BAS 00569861 is 272.11 g/mol.
Where can I buy BAS 00569861?
You can request a quote for BAS 00569861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00569861?
Yes, KEHONG BIO provides custom synthesis services for BAS 00569861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.