AU-059/15576853
TL;DR: AU-059/15576853 (CAS 52881-30-8) is a chemical compound with molecular formula C13H14N2OS2 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,17-dithia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-trien-9-one
Also Known As: AU-059/15576853, 3,4,7,8,9,10-hexahydro-2H,6H-[1]benzothieno[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-6-one, 3,4,7,8,9,10-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-6(2H)-one, 4,17-dithia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-trien-9-one
| Molecular Formula | C13H14N2OS2 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.05475 |
| Heavy Atoms | 18 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 52881-30-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)CCCS4 |
| InChIKey | AJBRLCRKYLBRJD-UHFFFAOYSA-N |
Product Overview
AU-059/15576853 (CAS 52881-30-8), with molecular formula C13H14N2OS2 and molecular weight 278.05 g/mol. IUPAC: 4,17-dithia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-trien-9-one.
Chemical Property Profile of AU-059/15576853
Property Insights of AU-059/15576853
The XLogP value of 3.2 indicates that AU-059/15576853 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AU-059/15576853. Following Lipinski's Rule of Five, AU-059/15576853 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 AU-059/15576853?
The CAS number of AU-059/15576853 is 52881-30-8.
What is the molecular formula of AU-059/15576853?
The molecular formula of AU-059/15576853 is C13H14N2OS2.
What is the molecular weight of AU-059/15576853?
The molecular weight of AU-059/15576853 is 278.05 g/mol.
Where can I buy AU-059/15576853?
You can request a quote for AU-059/15576853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AU-059/15576853?
Yes, KEHONG BIO provides custom synthesis services for AU-059/15576853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.