starbld0003847
TL;DR: starbld0003847 (CAS 745023-50-1) is a chemical compound with molecular formula C20H27N5O2S and molecular weight 401.19 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-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: starbld0003847, N-(1-cyano-1,2-dimethylpropyl)-2-{[5-(4-methoxyphenyl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-Cyano-3-methylbutan-2-yl)-2-((4-isopropyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H27N5O2S |
|---|---|
| Molecular Weight | 401.19 g/mol |
| LogP | 3.68118 |
| Topological Polar Surface Area | 92.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.18854 |
| Heavy Atoms | 28 |
| Complexity | 854.47125 |
Chemical Identifiers
| CAS Number | 745023-50-1 |
|---|---|
| SMILES | CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1C(C)C)C2=CC=C(C=C2)OC |
Product Overview
starbld0003847 (CAS 745023-50-1), with molecular formula C20H27N5O2S and molecular weight 401.19 g/mol. IUPAC: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of starbld0003847
Property Insights of starbld0003847
The XLogP value of 3.68118 indicates that starbld0003847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.83 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0003847. Following Lipinski's Rule of Five, starbld0003847 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 starbld0003847?
The CAS number of starbld0003847 is 745023-50-1.
What is the molecular formula of starbld0003847?
The molecular formula of starbld0003847 is C20H27N5O2S.
What is the molecular weight of starbld0003847?
The molecular weight of starbld0003847 is 401.19 g/mol.
Where can I buy starbld0003847?
You can request a quote for starbld0003847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0003847?
Yes, KEHONG BIO provides custom synthesis services for starbld0003847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.