![N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide structure](/static/products/854/854026-12-3.png)
N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide
TL;DR: N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide (CAS 854026-12-3) is a chemical compound with molecular formula C25H26N4O2S2 and molecular weight 478.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyano-1-cyclopropylethyl)-2-[(3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide
Also Known As: N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide
| Molecular Formula | C25H26N4O2S2 |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 4.61668 |
| Topological Polar Surface Area | 87.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.14972 |
| Heavy Atoms | 33 |
| Complexity | 1303.9186 |
Chemical Identifiers
| CAS Number | 854026-12-3 |
|---|---|
| SMILES | CC(C#N)(C1CC1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide (CAS 854026-12-3), with molecular formula C25H26N4O2S2 and molecular weight 478.15 g/mol. IUPAC: N-(1-cyano-1-cyclopropylethyl)-2-[(3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide
Property Insights of N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide
The XLogP value of 4.61668 indicates that N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)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-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide?
The CAS number of N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide is 854026-12-3.
What is the molecular formula of N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide?
The molecular formula of N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide is C25H26N4O2S2.
What is the molecular weight of N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide?
The molecular weight of N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide is 478.15 g/mol.
Where can I buy N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide?
You can request a quote for N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)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-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyano-1-cyclopropylethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.