AJ-292/13046012
TL;DR: AJ-292/13046012 (CAS 352657-69-3) is a chemical compound with molecular formula C26H23ClN2O4S2 and molecular weight 526.08 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-4-(4-methoxyphenyl)-12,12-dimethyl-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-292/13046012, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C26H23ClN2O4S2 |
|---|---|
| Molecular Weight | 526.08 g/mol |
| LogP | 5.9355 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.0788 |
| Heavy Atoms | 35 |
| Complexity | 1474.7568 |
Chemical Identifiers
| CAS Number | 352657-69-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC)C |
Product Overview
AJ-292/13046012 (CAS 352657-69-3), with molecular formula C26H23ClN2O4S2 and molecular weight 526.08 g/mol. IUPAC: 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-12,12-dimethyl-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-292/13046012
Property Insights of AJ-292/13046012
The XLogP value of 5.9355 indicates that AJ-292/13046012 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-292/13046012. Following Lipinski's Rule of Five, AJ-292/13046012 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/13046012?
The CAS number of AJ-292/13046012 is 352657-69-3.
What is the molecular formula of AJ-292/13046012?
The molecular formula of AJ-292/13046012 is C26H23ClN2O4S2.
What is the molecular weight of AJ-292/13046012?
The molecular weight of AJ-292/13046012 is 526.08 g/mol.
Where can I buy AJ-292/13046012?
You can request a quote for AJ-292/13046012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13046012?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13046012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.