AJ-292/13046022
TL;DR: AJ-292/13046022 (CAS 351440-73-8) is a chemical compound with molecular formula C22H21BrN2O2S2 and molecular weight 488.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AJ-292/13046022, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methyl-2-propenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-methylallyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-{[2-(4-BROMOPHENYL)-2-OXOETHYL]SULFANYL}-3-(2-METHYLALLYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
| Molecular Formula | C22H21BrN2O2S2 |
|---|---|
| Molecular Weight | 488.02 g/mol |
| LogP | 5.6504 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.02277 |
| Heavy Atoms | 29 |
| Complexity | 1162.2544 |
Chemical Identifiers
| CAS Number | 351440-73-8 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Br)SC4=C2CCCC4 |
Product Overview
AJ-292/13046022 (CAS 351440-73-8), with molecular formula C22H21BrN2O2S2 and molecular weight 488.02 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AJ-292/13046022
Property Insights of AJ-292/13046022
The XLogP value of 5.6504 indicates that AJ-292/13046022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, AJ-292/13046022 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/13046022 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/13046022?
The CAS number of AJ-292/13046022 is 351440-73-8.
What is the molecular formula of AJ-292/13046022?
The molecular formula of AJ-292/13046022 is C22H21BrN2O2S2.
What is the molecular weight of AJ-292/13046022?
The molecular weight of AJ-292/13046022 is 488.02 g/mol.
Where can I buy AJ-292/13046022?
You can request a quote for AJ-292/13046022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13046022?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13046022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.