starbld0006662
TL;DR: starbld0006662 (CAS 782464-96-4) is a chemical compound with molecular formula C23H26N6O2S and molecular weight 450.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: starbld0006662, N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-Cyano-3-methylbutan-2-yl)-2-((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H26N6O2S |
|---|---|
| Molecular Weight | 450.18 g/mol |
| LogP | 3.87458 |
| Topological Polar Surface Area | 105.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.1838 |
| Heavy Atoms | 32 |
| Complexity | 1091.9244 |
Chemical Identifiers
| CAS Number | 782464-96-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(C)(C#N)C(C)C)C3=CN=CC=C3 |
Product Overview
starbld0006662 (CAS 782464-96-4), with molecular formula C23H26N6O2S and molecular weight 450.18 g/mol. IUPAC: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of starbld0006662
Property Insights of starbld0006662
The XLogP value of 3.87458 indicates that starbld0006662 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.72 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0006662. Following Lipinski's Rule of Five, starbld0006662 has 1 hydrogen bond donor(s) and 7 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 starbld0006662?
The CAS number of starbld0006662 is 782464-96-4.
What is the molecular formula of starbld0006662?
The molecular formula of starbld0006662 is C23H26N6O2S.
What is the molecular weight of starbld0006662?
The molecular weight of starbld0006662 is 450.18 g/mol.
Where can I buy starbld0006662?
You can request a quote for starbld0006662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0006662?
Yes, KEHONG BIO provides custom synthesis services for starbld0006662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.