BAS 05517138
TL;DR: BAS 05517138 (CAS 500134-64-5) is a chemical compound with molecular formula C20H16N4O and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-amino-5-[(3-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
Also Known As: BAS 05517138, (5E)-2-amino-5-[(3-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile, (E)-2-amino-5-(3-methoxybenzylidene)-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile, 2-amino-5-[(3-methoxyphenyl)methylene]-4,6-dimethylcyclopenta[2,1-b]pyridine-3 ,7-dicarbonitrile
| Molecular Formula | C20H16N4O |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 3.70378 |
| Topological Polar Surface Area | 95.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.13242 |
| Heavy Atoms | 25 |
| Complexity | 1032.8824 |
Chemical Identifiers
| CAS Number | 500134-64-5 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C/C3=CC(=CC=C3)OC)C(=C(C(=N2)N)C#N)C)C#N |
Product Overview
BAS 05517138 (CAS 500134-64-5), with molecular formula C20H16N4O and molecular weight 328.13 g/mol. IUPAC: (5E)-2-amino-5-[(3-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile.
Chemical Property Profile of BAS 05517138
Property Insights of BAS 05517138
The XLogP value of 3.70378 indicates that BAS 05517138 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05517138. Following Lipinski's Rule of Five, BAS 05517138 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 BAS 05517138?
The CAS number of BAS 05517138 is 500134-64-5.
What is the molecular formula of BAS 05517138?
The molecular formula of BAS 05517138 is C20H16N4O.
What is the molecular weight of BAS 05517138?
The molecular weight of BAS 05517138 is 328.13 g/mol.
Where can I buy BAS 05517138?
You can request a quote for BAS 05517138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05517138?
Yes, KEHONG BIO provides custom synthesis services for BAS 05517138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.