AE-848/34328022
TL;DR: AE-848/34328022 (CAS 312940-18-4) is a chemical compound with molecular formula C17H15N3O7S and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,4-dinitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AE-848/34328022, ethyl 2-({2,4-bisnitrobenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[(2,4-dinitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-(2,4-DINITROBENZAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-(2,4-dinitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C17H15N3O7S |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 3.4822 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.06308 |
| Heavy Atoms | 28 |
| Complexity | 998.8775 |
Chemical Identifiers
| CAS Number | 312940-18-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
AE-848/34328022 (CAS 312940-18-4), with molecular formula C17H15N3O7S and molecular weight 405.06 g/mol. IUPAC: ethyl 2-[(2,4-dinitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AE-848/34328022
Property Insights of AE-848/34328022
The XLogP value of 3.4822 indicates that AE-848/34328022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.68 Ų indicates high polarity, suggesting AE-848/34328022 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AE-848/34328022 has 1 hydrogen bond donor(s) and 8 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 AE-848/34328022?
The CAS number of AE-848/34328022 is 312940-18-4.
What is the molecular formula of AE-848/34328022?
The molecular formula of AE-848/34328022 is C17H15N3O7S.
What is the molecular weight of AE-848/34328022?
The molecular weight of AE-848/34328022 is 405.06 g/mol.
Where can I buy AE-848/34328022?
You can request a quote for AE-848/34328022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/34328022?
Yes, KEHONG BIO provides custom synthesis services for AE-848/34328022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.