AJ-292/40445217
TL;DR: AJ-292/40445217 (CAS 371214-95-8) is a chemical compound with molecular formula C19H19N3O8S and molecular weight 449.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,5-dinitrobenzoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: AJ-292/40445217, ethyl 2-[(3,5-dinitrobenzoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ethyl 2-({3,5-dinitrobenzoyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-{[(3,5-dinitrophenyl)carbonyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-(3,5-dinitrobenzamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C19H19N3O8S |
|---|---|
| Molecular Weight | 449.09 g/mol |
| LogP | 3.8448 |
| Topological Polar Surface Area | 150.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.0893 |
| Heavy Atoms | 31 |
| Complexity | 1059.8123 |
Chemical Identifiers
| CAS Number | 371214-95-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
AJ-292/40445217 (CAS 371214-95-8), with molecular formula C19H19N3O8S and molecular weight 449.09 g/mol. IUPAC: ethyl 2-[(3,5-dinitrobenzoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of AJ-292/40445217
Property Insights of AJ-292/40445217
The XLogP value of 3.8448 indicates that AJ-292/40445217 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.91 Ų indicates high polarity, suggesting AJ-292/40445217 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AJ-292/40445217 has 1 hydrogen bond donor(s) and 9 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-292/40445217?
The CAS number of AJ-292/40445217 is 371214-95-8.
What is the molecular formula of AJ-292/40445217?
The molecular formula of AJ-292/40445217 is C19H19N3O8S.
What is the molecular weight of AJ-292/40445217?
The molecular weight of AJ-292/40445217 is 449.09 g/mol.
Where can I buy AJ-292/40445217?
You can request a quote for AJ-292/40445217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40445217?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40445217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.