AJ-292/36376035
TL;DR: AJ-292/36376035 (CAS 849018-58-2) is a chemical compound with molecular formula C13H12N6OS2 and molecular weight 332.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15,15-dimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),5,8,10,13(18)-pentaene-3-thione
Also Known As: AJ-292/36376035, 12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidine-7(6H)-thione, 15,15-Dimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),5,8,10,13(18)-pentaene-3-thione, 12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine-7-thiol, 12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine-7(6H)-thione
| Molecular Formula | C13H12N6OS2 |
|---|---|
| Molecular Weight | 332.05 g/mol |
| LogP | 2.50059 |
| Topological Polar Surface Area | 72.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 332.0514 |
| Heavy Atoms | 22 |
| Complexity | 1114.5541 |
Chemical Identifiers
| CAS Number | 849018-58-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NNC(=S)N35)C |
Product Overview
AJ-292/36376035 (CAS 849018-58-2), with molecular formula C13H12N6OS2 and molecular weight 332.05 g/mol. IUPAC: 15,15-dimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),5,8,10,13(18)-pentaene-3-thione.
Chemical Property Profile of AJ-292/36376035
Property Insights of AJ-292/36376035
The XLogP value of 2.50059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AJ-292/36376035. The TPSA of 72.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/36376035. Following Lipinski's Rule of Five, AJ-292/36376035 has 1 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 AJ-292/36376035?
The CAS number of AJ-292/36376035 is 849018-58-2.
What is the molecular formula of AJ-292/36376035?
The molecular formula of AJ-292/36376035 is C13H12N6OS2.
What is the molecular weight of AJ-292/36376035?
The molecular weight of AJ-292/36376035 is 332.05 g/mol.
Where can I buy AJ-292/36376035?
You can request a quote for AJ-292/36376035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/36376035?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/36376035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.