AJ-292/41043158
TL;DR: AJ-292/41043158 (CAS 370577-15-4) is a chemical compound with molecular formula C22H24N2O4S2 and molecular weight 444.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-benzyl-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
Also Known As: AJ-292/41043158, methyl [(3-benzyl-6-isopropyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, methyl {[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, methyl 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate, methyl 2-[(3-benzyl-4-oxo-6-propan-2-yl-6,8-dihydro-5H-pyrano[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]acetate
| Molecular Formula | C22H24N2O4S2 |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | 3.8687 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.11774 |
| Heavy Atoms | 30 |
| Complexity | 1121.6083 |
Chemical Identifiers
| CAS Number | 370577-15-4 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)CC4=CC=CC=C4 |
Product Overview
AJ-292/41043158 (CAS 370577-15-4), with molecular formula C22H24N2O4S2 and molecular weight 444.12 g/mol. IUPAC: methyl 2-[(4-benzyl-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate.
Chemical Property Profile of AJ-292/41043158
Property Insights of AJ-292/41043158
The XLogP value of 3.8687 indicates that AJ-292/41043158 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/41043158. Following Lipinski's Rule of Five, AJ-292/41043158 has 0 hydrogen bond donor(s) and 7 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-292/41043158?
The CAS number of AJ-292/41043158 is 370577-15-4.
What is the molecular formula of AJ-292/41043158?
The molecular formula of AJ-292/41043158 is C22H24N2O4S2.
What is the molecular weight of AJ-292/41043158?
The molecular weight of AJ-292/41043158 is 444.12 g/mol.
Where can I buy AJ-292/41043158?
You can request a quote for AJ-292/41043158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/41043158?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/41043158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.