BAS 05939662
TL;DR: BAS 05939662 (CAS 477330-95-3) is a chemical compound with molecular formula C23H20FN5O2S and molecular weight 449.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
Also Known As: BAS 05939662, 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide, 2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluorophenyl)acetamide, 2-{[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide, 2-((4-(4-Ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3-fluorophenyl)acetamide
| Molecular Formula | C23H20FN5O2S |
|---|---|
| Molecular Weight | 449.13 g/mol |
| LogP | 4.5979 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.13217 |
| Heavy Atoms | 32 |
| Complexity | 1198.7545 |
Chemical Identifiers
| CAS Number | 477330-95-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)F)C4=CN=CC=C4 |
Product Overview
BAS 05939662 (CAS 477330-95-3), with molecular formula C23H20FN5O2S and molecular weight 449.13 g/mol. IUPAC: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.
Chemical Property Profile of BAS 05939662
Property Insights of BAS 05939662
The XLogP value of 4.5979 indicates that BAS 05939662 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 05939662. Following Lipinski's Rule of Five, BAS 05939662 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 BAS 05939662?
The CAS number of BAS 05939662 is 477330-95-3.
What is the molecular formula of BAS 05939662?
The molecular formula of BAS 05939662 is C23H20FN5O2S.
What is the molecular weight of BAS 05939662?
The molecular weight of BAS 05939662 is 449.13 g/mol.
Where can I buy BAS 05939662?
You can request a quote for BAS 05939662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05939662?
Yes, KEHONG BIO provides custom synthesis services for BAS 05939662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.