![N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide structure](/static/products/848/848911-23-9.png)
N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide
TL;DR: N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide (CAS 848911-23-9) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyanocyclopentyl)-2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetamide
Also Known As: N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 2.30108 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 1012.2783 |
Chemical Identifiers
| CAS Number | 848911-23-9 |
|---|---|
| SMILES | C1CCC(C1)(C#N)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O |
Product Overview
N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide (CAS 848911-23-9), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: N-(1-cyanocyclopentyl)-2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetamide.
Chemical Property Profile of N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide
Property Insights of N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide
The XLogP value of 2.30108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide. Following Lipinski's Rule of Five, N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide 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 N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide?
The CAS number of N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide is 848911-23-9.
What is the molecular formula of N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide?
The molecular formula of N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide is C18H17N3O3S.
What is the molecular weight of N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide?
The molecular weight of N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide is 355.10 g/mol.
Where can I buy N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide?
You can request a quote for N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyanocyclopentyl)-2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.