AJ-292/42006058
TL;DR: AJ-292/42006058 (CAS 488734-78-7) is a chemical compound with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene
Also Known As: AJ-292/42006058, 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 1,3-benzodioxol-5-ylmethyl 8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl sulfide, 15-(1,3-Benzodioxol-5-ylmethylsulfanyl)-5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene, 4-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C22H19N3O3S2 |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 5.1118 |
| Topological Polar Surface Area | 66.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.0868 |
| Heavy Atoms | 30 |
| Complexity | 1302.0156 |
Chemical Identifiers
| CAS Number | 488734-78-7 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=NC=N4)SCC5=CC6=C(C=C5)OCO6)C |
Product Overview
AJ-292/42006058 (CAS 488734-78-7), with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol. IUPAC: 15-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene.
Chemical Property Profile of AJ-292/42006058
Property Insights of AJ-292/42006058
The XLogP value of 5.1118 indicates that AJ-292/42006058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/42006058. Following Lipinski's Rule of Five, AJ-292/42006058 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/42006058?
The CAS number of AJ-292/42006058 is 488734-78-7.
What is the molecular formula of AJ-292/42006058?
The molecular formula of AJ-292/42006058 is C22H19N3O3S2.
What is the molecular weight of AJ-292/42006058?
The molecular weight of AJ-292/42006058 is 437.09 g/mol.
Where can I buy AJ-292/42006058?
You can request a quote for AJ-292/42006058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/42006058?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/42006058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.