AS-871/40932859
TL;DR: AS-871/40932859 (CAS 379243-71-7) is a chemical compound with molecular formula C16H11N5OS and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17,18-dimethyl-16-thia-1,2,4,5,14-pentazapentacyclo[11.7.0.02,6.07,12.015,19]icosa-3,5,7,9,11,13,15(19),17-octaen-20-one
Also Known As: AS-871/40932859, 17,18-dimethyl-16-thia-1,2,4,5,14-pentaazapentacyclo[11.7.0.0^{2,6}.0^{7,12}.0^{15,19}]icosa-3,5,7(12),8,10,13,15(19),17-octaen-20-one, 10,11-dimethyl-12H-thieno[2',3':4,5]pyrimido[2,1-a][1,2,4]triazolo[4,3-c]phthalazin-12-one, 10,11-dimethyl-13,14-dihydrothiopheno[2,3-d]1,2,4-triazolo[4',3'-3,4]phthalazi no[2,1-a]pyrimidin-12-one
| Molecular Formula | C16H11N5OS |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.06842 |
| Heavy Atoms | 23 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 379243-71-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N3C(=N2)C4=CC=CC=C4C5=NN=CN53)C |
| InChIKey | HMHUNUOEVDGVSJ-UHFFFAOYSA-N |
Product Overview
AS-871/40932859 (CAS 379243-71-7), with molecular formula C16H11N5OS and molecular weight 321.07 g/mol. IUPAC: 17,18-dimethyl-16-thia-1,2,4,5,14-pentazapentacyclo[11.7.0.02,6.07,12.015,19]icosa-3,5,7,9,11,13,15(19),17-octaen-20-one.
Chemical Property Profile of AS-871/40932859
Property Insights of AS-871/40932859
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/40932859. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/40932859. Following Lipinski's Rule of Five, AS-871/40932859 has 0 hydrogen bond donor(s) and 5 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 AS-871/40932859?
The CAS number of AS-871/40932859 is 379243-71-7.
What is the molecular formula of AS-871/40932859?
The molecular formula of AS-871/40932859 is C16H11N5OS.
What is the molecular weight of AS-871/40932859?
The molecular weight of AS-871/40932859 is 321.07 g/mol.
Where can I buy AS-871/40932859?
You can request a quote for AS-871/40932859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40932859?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40932859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.