BAS 14867681
TL;DR: BAS 14867681 (CAS 878448-92-1) is a chemical compound with molecular formula C20H19FN4O2S and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
Also Known As: BAS 14867681, 2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide, 2-((4-allyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide, 2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide, 2-[5-(4-fluorophenyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio)]-N-(2-methoxypheny l)acetamide
| Molecular Formula | C20H19FN4O2S |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 4.0096 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.12128 |
| Heavy Atoms | 28 |
| Complexity | 972.592 |
Chemical Identifiers
| CAS Number | 878448-92-1 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F |
Product Overview
BAS 14867681 (CAS 878448-92-1), with molecular formula C20H19FN4O2S and molecular weight 398.12 g/mol. IUPAC: 2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of BAS 14867681
Property Insights of BAS 14867681
The XLogP value of 4.0096 indicates that BAS 14867681 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 14867681. Following Lipinski's Rule of Five, BAS 14867681 has 1 hydrogen bond donor(s) and 5 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 14867681?
The CAS number of BAS 14867681 is 878448-92-1.
What is the molecular formula of BAS 14867681?
The molecular formula of BAS 14867681 is C20H19FN4O2S.
What is the molecular weight of BAS 14867681?
The molecular weight of BAS 14867681 is 398.12 g/mol.
Where can I buy BAS 14867681?
You can request a quote for BAS 14867681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 14867681?
Yes, KEHONG BIO provides custom synthesis services for BAS 14867681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.