AS-871/43389936
TL;DR: AS-871/43389936 (CAS 877809-78-4) is a chemical compound with molecular formula C28H37N3O5 and molecular weight 495.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-[2-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AS-871/43389936, ethyl 4-({2-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-(2-(4-(tert-butyl)phenyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[2-(4-tert-butylphenyl)-1-(2-dimethylaminoethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-[(E)-[2-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C28H37N3O5 |
|---|---|
| Molecular Weight | 495.27 g/mol |
| LogP | 4.08904 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.27332 |
| Heavy Atoms | 36 |
| Complexity | 1199.0088 |
Chemical Identifiers
| CAS Number | 877809-78-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C(C)(C)C)/O)C |
Product Overview
AS-871/43389936 (CAS 877809-78-4), with molecular formula C28H37N3O5 and molecular weight 495.27 g/mol. IUPAC: ethyl 4-[(E)-[2-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of AS-871/43389936
Property Insights of AS-871/43389936
The XLogP value of 4.08904 indicates that AS-871/43389936 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/43389936. Following Lipinski's Rule of Five, AS-871/43389936 has 2 hydrogen bond donor(s) and 6 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 AS-871/43389936?
The CAS number of AS-871/43389936 is 877809-78-4.
What is the molecular formula of AS-871/43389936?
The molecular formula of AS-871/43389936 is C28H37N3O5.
What is the molecular weight of AS-871/43389936?
The molecular weight of AS-871/43389936 is 495.27 g/mol.
Where can I buy AS-871/43389936?
You can request a quote for AS-871/43389936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/43389936?
Yes, KEHONG BIO provides custom synthesis services for AS-871/43389936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.