AJ-292/13329037
TL;DR: AJ-292/13329037 (CAS 351385-53-0) is a chemical compound with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-methoxyphenyl)-12,12-dimethyl-3-prop-2-enylsulfanyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: AJ-292/13329037, 1-(allylsulfanyl)-4-(4-methoxyphenyl)-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-(allylthio)-4-(4-methoxyphenyl)-7,7-dimethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 4-(4-methoxyphenyl)-7,7-dimethyl-1-(prop-2-en-1-ylsulfanyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C22H22N4O3S2 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 4.2329 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.11334 |
| Heavy Atoms | 31 |
| Complexity | 1365.9199 |
Chemical Identifiers
| CAS Number | 351385-53-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC=C)C5=CC=C(C=C5)OC)C |
Product Overview
AJ-292/13329037 (CAS 351385-53-0), with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol. IUPAC: 7-(4-methoxyphenyl)-12,12-dimethyl-3-prop-2-enylsulfanyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of AJ-292/13329037
Property Insights of AJ-292/13329037
The XLogP value of 4.2329 indicates that AJ-292/13329037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.65 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/13329037. Following Lipinski's Rule of Five, AJ-292/13329037 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-292/13329037?
The CAS number of AJ-292/13329037 is 351385-53-0.
What is the molecular formula of AJ-292/13329037?
The molecular formula of AJ-292/13329037 is C22H22N4O3S2.
What is the molecular weight of AJ-292/13329037?
The molecular weight of AJ-292/13329037 is 454.11 g/mol.
Where can I buy AJ-292/13329037?
You can request a quote for AJ-292/13329037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13329037?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13329037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.