BAS 08854444
TL;DR: BAS 08854444 (CAS 694487-42-8) is a chemical compound with molecular formula C17H19N5O2S2 and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: BAS 08854444, 2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, 2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C17H19N5O2S2 |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | 3.6253 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.09802 |
| Heavy Atoms | 26 |
| Complexity | 836.2275 |
Chemical Identifiers
| CAS Number | 694487-42-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C(C)OC3=CC=CC=C3 |
Product Overview
BAS 08854444 (CAS 694487-42-8), with molecular formula C17H19N5O2S2 and molecular weight 389.10 g/mol. IUPAC: 2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of BAS 08854444
Property Insights of BAS 08854444
The XLogP value of 3.6253 indicates that BAS 08854444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08854444. Following Lipinski's Rule of Five, BAS 08854444 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 BAS 08854444?
The CAS number of BAS 08854444 is 694487-42-8.
What is the molecular formula of BAS 08854444?
The molecular formula of BAS 08854444 is C17H19N5O2S2.
What is the molecular weight of BAS 08854444?
The molecular weight of BAS 08854444 is 389.10 g/mol.
Where can I buy BAS 08854444?
You can request a quote for BAS 08854444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08854444?
Yes, KEHONG BIO provides custom synthesis services for BAS 08854444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.