AJ-292/36790003
TL;DR: AJ-292/36790003 (CAS 267665-51-0) is a chemical compound with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(13,13-dimethyl-7-oxo-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]acetate
Also Known As: AJ-292/36790003, ethyl 2-((8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetate, ethyl [(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, Ethyl 2-[(13,13-dimethyl-7-oxo-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]acetate, ethyl (8,8-dimethyl-4-oxo-3-phenyl-4,6,8,9-tetrahydro-3 h-pyrano[3',4':5,6] pyrido[2,3-d]pyrimidin-2-ylthio)acetate
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 3.2872 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 1158.4967 |
Chemical Identifiers
| CAS Number | 267665-51-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C=C3COC(CC3=N2)(C)C)C(=O)N1C4=CC=CC=C4 |
Product Overview
AJ-292/36790003 (CAS 267665-51-0), with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol. IUPAC: ethyl 2-[(13,13-dimethyl-7-oxo-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]acetate.
Chemical Property Profile of AJ-292/36790003
Property Insights of AJ-292/36790003
The XLogP value of 3.2872 indicates that AJ-292/36790003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/36790003. Following Lipinski's Rule of Five, AJ-292/36790003 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-292/36790003?
The CAS number of AJ-292/36790003 is 267665-51-0.
What is the molecular formula of AJ-292/36790003?
The molecular formula of AJ-292/36790003 is C22H23N3O4S.
What is the molecular weight of AJ-292/36790003?
The molecular weight of AJ-292/36790003 is 425.14 g/mol.
Where can I buy AJ-292/36790003?
You can request a quote for AJ-292/36790003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/36790003?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/36790003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.