![2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide structure](/static/products/3408/340817-92-7.webp)
2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
TL;DR: 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (CAS 340817-92-7) is a chemical compound with molecular formula C25H23N5O3S2 and molecular weight 505.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Also Known As: 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, 2-(6-adamantanyl-3-cyano(2-pyridylthio))-N-(6-nitrobenzothiazol-2-yl)acetamide, 2-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(6-nitrobenzothiazol-2-yl)acetamide, 2-{[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
| Molecular Formula | C25H23N5O3S2 |
|---|---|
| Molecular Weight | 505.12 g/mol |
| LogP | 5.66978 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.12424 |
| Heavy Atoms | 35 |
| Complexity | 1360.2062 |
Chemical Identifiers
| CAS Number | 340817-92-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-] |
Product Overview
2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (CAS 340817-92-7), with molecular formula C25H23N5O3S2 and molecular weight 505.12 g/mol. IUPAC: 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Property Insights of 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
The XLogP value of 5.66978 indicates that 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide 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-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The CAS number of 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is 340817-92-7.
What is the molecular formula of 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The molecular formula of 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is C25H23N5O3S2.
What is the molecular weight of 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The molecular weight of 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is 505.12 g/mol.
Where can I buy 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
You can request a quote for 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[6-(adamantan-1-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.