AJ-292/13047063
TL;DR: AJ-292/13047063 (CAS 352657-79-5) is a chemical compound with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(7-benzyl-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetate
Also Known As: AJ-292/13047063, ethyl [(4-benzyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate, ethyl 2-((4-benzyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetate
| Molecular Formula | C22H22N4O3S2 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 3.688 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.11334 |
| Heavy Atoms | 31 |
| Complexity | 1323.7748 |
Chemical Identifiers
| CAS Number | 352657-79-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CC=C5 |
Product Overview
AJ-292/13047063 (CAS 352657-79-5), with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol. IUPAC: ethyl 2-[(7-benzyl-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetate.
Chemical Property Profile of AJ-292/13047063
Property Insights of AJ-292/13047063
The XLogP value of 3.688 indicates that AJ-292/13047063 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/13047063. Following Lipinski's Rule of Five, AJ-292/13047063 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 AJ-292/13047063?
The CAS number of AJ-292/13047063 is 352657-79-5.
What is the molecular formula of AJ-292/13047063?
The molecular formula of AJ-292/13047063 is C22H22N4O3S2.
What is the molecular weight of AJ-292/13047063?
The molecular weight of AJ-292/13047063 is 454.11 g/mol.
Where can I buy AJ-292/13047063?
You can request a quote for AJ-292/13047063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13047063?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13047063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.