![2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile structure](/static/products/3408/340817-99-4.webp)
2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile
TL;DR: 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile (CAS 340817-99-4) is a chemical compound with molecular formula C30H34N4O3S and molecular weight 530.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-amino-4-(4-butoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
Also Known As: 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile, 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-amino-4-(4-butoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile, 2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile, 2-amino-4-(4-butoxy-3-methoxyphenyl)-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}pyridine-3,5-dicarbonitrile, 6-((2-(Adamantan-1-yl)-2-oxoethyl)thio)-4-(4-butoxy-3-methoxyphenyl)-2-imino-1,2-dihydropyridine-3,5-dicarbonitrile
| Molecular Formula | C30H34N4O3S |
|---|---|
| Molecular Weight | 530.24 g/mol |
| LogP | 6.13926 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 530.23517 |
| Heavy Atoms | 38 |
| Complexity | 1290.9597 |
Chemical Identifiers
| CAS Number | 340817-99-4 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4)N)C#N)OC |
Product Overview
2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile (CAS 340817-99-4), with molecular formula C30H34N4O3S and molecular weight 530.24 g/mol. IUPAC: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-amino-4-(4-butoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile
Property Insights of 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile
The XLogP value of 6.13926 indicates that 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile. Following Lipinski's Rule of Five, 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile?
The CAS number of 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile is 340817-99-4.
What is the molecular formula of 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile?
The molecular formula of 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile is C30H34N4O3S.
What is the molecular weight of 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile?
The molecular weight of 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile is 530.24 g/mol.
Where can I buy 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile?
You can request a quote for 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-amino-4-(4-butoxy-3-methoxyphenyl)-3,5-pyridinedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.