AM-896/36458010
TL;DR: AM-896/36458010 (CAS 59435-13-1) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AM-896/36458010, tert-butyl 5-(2-cyano-3-ethoxy-3-oxo-1-propenyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate, tert-butyl 5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate, tert-butyl 5-[(1E)-2-cyano-3-ethoxy-3-oxo-1-propenyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 3.05692 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 684.6721 |
Chemical Identifiers
| CAS Number | 59435-13-1 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=C(C(=C(N1)C(=O)OC(C)(C)C)C)C)/C#N |
Product Overview
AM-896/36458010 (CAS 59435-13-1), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: tert-butyl 5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of AM-896/36458010
Property Insights of AM-896/36458010
The XLogP value of 3.05692 indicates that AM-896/36458010 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AM-896/36458010. Following Lipinski's Rule of Five, AM-896/36458010 has 1 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 AM-896/36458010?
The CAS number of AM-896/36458010 is 59435-13-1.
What is the molecular formula of AM-896/36458010?
The molecular formula of AM-896/36458010 is C17H22N2O4.
What is the molecular weight of AM-896/36458010?
The molecular weight of AM-896/36458010 is 318.16 g/mol.
Where can I buy AM-896/36458010?
You can request a quote for AM-896/36458010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AM-896/36458010?
Yes, KEHONG BIO provides custom synthesis services for AM-896/36458010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.