starbld0005627
TL;DR: starbld0005627 (CAS 790288-46-9) is a chemical compound with molecular formula C17H21N5O2S and molecular weight 359.14 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-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: starbld0005627, N-(2-Cyano-3-methylbutan-2-yl)-2-((4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C17H21N5O2S |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 2.42248 |
| Topological Polar Surface Area | 92.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.1416 |
| Heavy Atoms | 25 |
| Complexity | 766.0906 |
Chemical Identifiers
| CAS Number | 790288-46-9 |
|---|---|
| SMILES | CC(C)C(C)(C#N)NC(=O)CSC1=NN=CN1C2=CC=C(C=C2)OC |
Product Overview
starbld0005627 (CAS 790288-46-9), with molecular formula C17H21N5O2S and molecular weight 359.14 g/mol. IUPAC: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of starbld0005627
Property Insights of starbld0005627
The XLogP value of 2.42248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0005627. The TPSA of 92.83 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0005627. Following Lipinski's Rule of Five, starbld0005627 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 starbld0005627?
The CAS number of starbld0005627 is 790288-46-9.
What is the molecular formula of starbld0005627?
The molecular formula of starbld0005627 is C17H21N5O2S.
What is the molecular weight of starbld0005627?
The molecular weight of starbld0005627 is 359.14 g/mol.
Where can I buy starbld0005627?
You can request a quote for starbld0005627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0005627?
Yes, KEHONG BIO provides custom synthesis services for starbld0005627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.