![N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide structure](/static/products/848/848905-52-2.png)
N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide
TL;DR: N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide (CAS 848905-52-2) is a chemical compound with molecular formula C17H18N4OS2 and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyano-1-cyclopropylethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
Also Known As: N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide, N-(1-cyano-1-cyclopropylethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide, N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide
| Molecular Formula | C17H18N4OS2 |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 3.08058 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.0922 |
| Heavy Atoms | 24 |
| Complexity | 852.128 |
Chemical Identifiers
| CAS Number | 848905-52-2 |
|---|---|
| SMILES | CC(C#N)(C1CC1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4 |
Product Overview
N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide (CAS 848905-52-2), with molecular formula C17H18N4OS2 and molecular weight 358.09 g/mol. IUPAC: N-(1-cyano-1-cyclopropylethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide.
Chemical Property Profile of N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide
Property Insights of N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide
The XLogP value of 3.08058 indicates that N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide. Following Lipinski's Rule of Five, N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide has 1 hydrogen bond donor(s) and 6 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-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide?
The CAS number of N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide is 848905-52-2.
What is the molecular formula of N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide?
The molecular formula of N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide is C17H18N4OS2.
What is the molecular weight of N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide?
The molecular weight of N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide is 358.09 g/mol.
Where can I buy N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide?
You can request a quote for N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}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-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyano-1-cyclopropylethyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.