AJ-292/12929025
TL;DR: AJ-292/12929025 (CAS 314042-12-1) is a chemical compound with molecular formula C15H15N3OS2 and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[11-(2-methylprop-2-enyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetonitrile
Also Known As: AJ-292/12929025, {[3-(2-methylallyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl cyanide, {[3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile, 2-((3-(2-methylallyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetonitrile, 2-{[3-(2-methyl-2-propenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile
| Molecular Formula | C15H15N3OS2 |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 3.13848 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.06564 |
| Heavy Atoms | 21 |
| Complexity | 826.02704 |
Chemical Identifiers
| CAS Number | 314042-12-1 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC#N)SC3=C2CCC3 |
Product Overview
AJ-292/12929025 (CAS 314042-12-1), with molecular formula C15H15N3OS2 and molecular weight 317.07 g/mol. IUPAC: 2-[[11-(2-methylprop-2-enyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetonitrile.
Chemical Property Profile of AJ-292/12929025
Property Insights of AJ-292/12929025
The XLogP value of 3.13848 indicates that AJ-292/12929025 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, AJ-292/12929025 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/12929025 has 0 hydrogen bond donor(s) and 5 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-292/12929025?
The CAS number of AJ-292/12929025 is 314042-12-1.
What is the molecular formula of AJ-292/12929025?
The molecular formula of AJ-292/12929025 is C15H15N3OS2.
What is the molecular weight of AJ-292/12929025?
The molecular weight of AJ-292/12929025 is 317.07 g/mol.
Where can I buy AJ-292/12929025?
You can request a quote for AJ-292/12929025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/12929025?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/12929025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.