A0529/0024518
TL;DR: A0529/0024518 (CAS 339581-57-6) is a chemical compound with molecular formula C22H20N4S2 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[(4-tert-butylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
Also Known As: A0529/0024518, 2-amino-6-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrile, 2-amino-6-[(4-tert-butylbenzyl)sulfanyl]-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrile, 2-amino-6-[(4-tert-butylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile, 2-AMINO-6-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-4-(THIOPHEN-2-YL)PYRIDINE-3,5-DICARBONITRILE
| Molecular Formula | C22H20N4S2 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 5.72546 |
| Topological Polar Surface Area | 86.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.11295 |
| Heavy Atoms | 28 |
| Complexity | 1064.1953 |
Chemical Identifiers
| CAS Number | 339581-57-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N |
Product Overview
A0529/0024518 (CAS 339581-57-6), with molecular formula C22H20N4S2 and molecular weight 404.11 g/mol. IUPAC: 2-amino-6-[(4-tert-butylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of A0529/0024518
Property Insights of A0529/0024518
The XLogP value of 5.72546 indicates that A0529/0024518 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.49 Ų falls within the moderate polarity range, balancing permeability and solubility for A0529/0024518. Following Lipinski's Rule of Five, A0529/0024518 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0529/0024518?
The CAS number of A0529/0024518 is 339581-57-6.
What is the molecular formula of A0529/0024518?
The molecular formula of A0529/0024518 is C22H20N4S2.
What is the molecular weight of A0529/0024518?
The molecular weight of A0529/0024518 is 404.11 g/mol.
Where can I buy A0529/0024518?
You can request a quote for A0529/0024518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0529/0024518?
Yes, KEHONG BIO provides custom synthesis services for A0529/0024518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.