AJ-292/12929024
TL;DR: AJ-292/12929024 (CAS 356587-35-4) is a chemical compound with molecular formula C23H23ClN2O3S2 and molecular weight 474.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AJ-292/12929024, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3-(2-methyl-2-propenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C23H23ClN2O3S2 |
|---|---|
| Molecular Weight | 474.08 g/mol |
| LogP | 5.5138 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.08386 |
| Heavy Atoms | 31 |
| Complexity | 1242.4254 |
Chemical Identifiers
| CAS Number | 356587-35-4 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)SC4=C2CC(OC4)(C)C |
Product Overview
AJ-292/12929024 (CAS 356587-35-4), with molecular formula C23H23ClN2O3S2 and molecular weight 474.08 g/mol. IUPAC: 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of AJ-292/12929024
Property Insights of AJ-292/12929024
The XLogP value of 5.5138 indicates that AJ-292/12929024 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/12929024. Following Lipinski's Rule of Five, AJ-292/12929024 has 0 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-292/12929024?
The CAS number of AJ-292/12929024 is 356587-35-4.
What is the molecular formula of AJ-292/12929024?
The molecular formula of AJ-292/12929024 is C23H23ClN2O3S2.
What is the molecular weight of AJ-292/12929024?
The molecular weight of AJ-292/12929024 is 474.08 g/mol.
Where can I buy AJ-292/12929024?
You can request a quote for AJ-292/12929024 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/12929024?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/12929024 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.