AJ-292/13047029
TL;DR: AJ-292/13047029 (CAS 364623-98-3) is a chemical compound with molecular formula C22H24BrN3OS2 and molecular weight 489.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)ethanone
Also Known As: AJ-292/13047029, 2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)ethanone, 2-((4-amino-7-(tert-butyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-(4-bromophenyl)ethanone, 2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)ethanone
| Molecular Formula | C22H24BrN3OS2 |
|---|---|
| Molecular Weight | 489.05 g/mol |
| LogP | 6.162 |
| Topological Polar Surface Area | 68.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.0544 |
| Heavy Atoms | 29 |
| Complexity | 1070.3363 |
Chemical Identifiers
| CAS Number | 364623-98-3 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCC(=O)C4=CC=C(C=C4)Br |
Product Overview
AJ-292/13047029 (CAS 364623-98-3), with molecular formula C22H24BrN3OS2 and molecular weight 489.05 g/mol. IUPAC: 2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)ethanone.
Chemical Property Profile of AJ-292/13047029
Property Insights of AJ-292/13047029
The XLogP value of 6.162 indicates that AJ-292/13047029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/13047029. Following Lipinski's Rule of Five, AJ-292/13047029 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/13047029?
The CAS number of AJ-292/13047029 is 364623-98-3.
What is the molecular formula of AJ-292/13047029?
The molecular formula of AJ-292/13047029 is C22H24BrN3OS2.
What is the molecular weight of AJ-292/13047029?
The molecular weight of AJ-292/13047029 is 489.05 g/mol.
Where can I buy AJ-292/13047029?
You can request a quote for AJ-292/13047029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13047029?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13047029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.