AJ-292/12416057
TL;DR: AJ-292/12416057 (CAS 330179-76-5) is a chemical compound with molecular formula C22H24N2O2S2 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-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-292/12416057, 2-(benzylsulfanyl)-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, 5-Benzylsulfanyl-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, 2-(BENZYLSULFANYL)-6,6-DIMETHYL-3-(2-METHYLALLYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 2-(benzylsulfanyl)-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 | C22H24N2O2S2 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 5.1777 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.12793 |
| Heavy Atoms | 28 |
| Complexity | 1097.1625 |
Chemical Identifiers
| CAS Number | 330179-76-5 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)SC4=C2CC(OC4)(C)C |
Product Overview
AJ-292/12416057 (CAS 330179-76-5), with molecular formula C22H24N2O2S2 and molecular weight 412.13 g/mol. IUPAC: 5-benzylsulfanyl-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-292/12416057
Property Insights of AJ-292/12416057
The XLogP value of 5.1777 indicates that AJ-292/12416057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, AJ-292/12416057 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/12416057 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-292/12416057?
The CAS number of AJ-292/12416057 is 330179-76-5.
What is the molecular formula of AJ-292/12416057?
The molecular formula of AJ-292/12416057 is C22H24N2O2S2.
What is the molecular weight of AJ-292/12416057?
The molecular weight of AJ-292/12416057 is 412.13 g/mol.
Where can I buy AJ-292/12416057?
You can request a quote for AJ-292/12416057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/12416057?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/12416057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.