AJ-292/42006070
TL;DR: AJ-292/42006070 (CAS 489415-86-3) is a chemical compound with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,13-trimethyl-14-prop-2-enyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
Also Known As: AJ-292/42006070, 2-Allyl-3,8,8-trimethyl-8,9-dihydro-2H,6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluoren-1-one, 3-allyl-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one, 3-allyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one, 5,5,13-trimethyl-14-prop-2-enyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
| Molecular Formula | C18H19N3O2S |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.1198 |
| Heavy Atoms | 24 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 489415-86-3 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1CC=C)SC3=C2C=C4COC(CC4=N3)(C)C |
| InChIKey | UJMWRSJYYDFUTN-UHFFFAOYSA-N |
Product Overview
AJ-292/42006070 (CAS 489415-86-3), with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol. IUPAC: 5,5,13-trimethyl-14-prop-2-enyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one.
Chemical Property Profile of AJ-292/42006070
Property Insights of AJ-292/42006070
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AJ-292/42006070. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/42006070. Following Lipinski's Rule of Five, AJ-292/42006070 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-292/42006070?
The CAS number of AJ-292/42006070 is 489415-86-3.
What is the molecular formula of AJ-292/42006070?
The molecular formula of AJ-292/42006070 is C18H19N3O2S.
What is the molecular weight of AJ-292/42006070?
The molecular weight of AJ-292/42006070 is 341.12 g/mol.
Where can I buy AJ-292/42006070?
You can request a quote for AJ-292/42006070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/42006070?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/42006070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.