AE-641/40777566
TL;DR: AE-641/40777566 (CAS 308294-57-7) is a chemical compound with molecular formula C20H16N2O2S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methoxynaphthalene-2-carboxamide
Also Known As: AE-641/40777566, F0016-0547, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-3-methoxy-2-naphthamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methoxynaphthalene-2-carboxamide, N-{3-CYANO-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}-3-METHOXYNAPHTHALENE-2-CARBOXAMIDE
| Molecular Formula | C20H16N2O2S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 4.52258 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.09326 |
| Heavy Atoms | 25 |
| Complexity | 1030.0875 |
Chemical Identifiers
| CAS Number | 308294-57-7 |
|---|---|
| SMILES | COC1=CC2=CC=CC=C2C=C1C(=O)NC3=C(C4=C(S3)CCC4)C#N |
Product Overview
AE-641/40777566 (CAS 308294-57-7), with molecular formula C20H16N2O2S and molecular weight 348.09 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methoxynaphthalene-2-carboxamide.
Chemical Property Profile of AE-641/40777566
Property Insights of AE-641/40777566
The XLogP value of 4.52258 indicates that AE-641/40777566 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/40777566. Following Lipinski's Rule of Five, AE-641/40777566 has 1 hydrogen bond donor(s) and 4 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-641/40777566?
The CAS number of AE-641/40777566 is 308294-57-7.
What is the molecular formula of AE-641/40777566?
The molecular formula of AE-641/40777566 is C20H16N2O2S.
What is the molecular weight of AE-641/40777566?
The molecular weight of AE-641/40777566 is 348.09 g/mol.
Where can I buy AE-641/40777566?
You can request a quote for AE-641/40777566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40777566?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40777566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.