AJ-292/42006079
TL;DR: AJ-292/42006079 (CAS 498534-93-3) is a chemical compound with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-ethyl-5,5-dimethyl-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-292/42006079, 3-allyl-2-ethyl-8,8-dimethyl-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-ethyl-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one, 13-Ethyl-5,5-dimethyl-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, 2-ethyl-8,8-dimethyl-3-(prop-2-en-1-yl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C19H21N3O2S |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 3.6059 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.13544 |
| Heavy Atoms | 25 |
| Complexity | 1062.1328 |
Chemical Identifiers
| CAS Number | 498534-93-3 |
|---|---|
| SMILES | CCC1=NC2=C(C(=O)N1CC=C)SC3=C2C=C4COC(CC4=N3)(C)C |
Product Overview
AJ-292/42006079 (CAS 498534-93-3), with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol. IUPAC: 13-ethyl-5,5-dimethyl-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-292/42006079
Property Insights of AJ-292/42006079
The XLogP value of 3.6059 indicates that AJ-292/42006079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, AJ-292/42006079 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/42006079 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-292/42006079?
The CAS number of AJ-292/42006079 is 498534-93-3.
What is the molecular formula of AJ-292/42006079?
The molecular formula of AJ-292/42006079 is C19H21N3O2S.
What is the molecular weight of AJ-292/42006079?
The molecular weight of AJ-292/42006079 is 355.14 g/mol.
Where can I buy AJ-292/42006079?
You can request a quote for AJ-292/42006079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/42006079?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/42006079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.