BAS 09091742
TL;DR: BAS 09091742 (CAS 5188-65-8) is a chemical compound with molecular formula C18H20FN5OS3 and molecular weight 437.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[(4-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Also Known As: BAS 09091742, N-(2-Hydroxy-5-nitro-benzyliden)-[2,5]-xylidin, 2-[[4-ethyl-5-[(4-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide, 2-{[4-Ethyl-5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide
| Molecular Formula | C18H20FN5OS3 |
|---|---|
| Molecular Weight | 437.08 g/mol |
| LogP | 4.36622 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 437.0814 |
| Heavy Atoms | 28 |
| Complexity | 925.7065 |
Chemical Identifiers
| CAS Number | 5188-65-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C)CSCC3=CC=C(C=C3)F |
Product Overview
BAS 09091742 (CAS 5188-65-8), with molecular formula C18H20FN5OS3 and molecular weight 437.08 g/mol. IUPAC: 2-[[4-ethyl-5-[(4-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of BAS 09091742
Property Insights of BAS 09091742
The XLogP value of 4.36622 indicates that BAS 09091742 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09091742. Following Lipinski's Rule of Five, BAS 09091742 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 09091742?
The CAS number of BAS 09091742 is 5188-65-8.
What is the molecular formula of BAS 09091742?
The molecular formula of BAS 09091742 is C18H20FN5OS3.
What is the molecular weight of BAS 09091742?
The molecular weight of BAS 09091742 is 437.08 g/mol.
Where can I buy BAS 09091742?
You can request a quote for BAS 09091742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09091742?
Yes, KEHONG BIO provides custom synthesis services for BAS 09091742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.