BAS 13406545
TL;DR: BAS 13406545 (CAS 878426-97-2) is a chemical compound with molecular formula C16H15ClN6OS2 and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: BAS 13406545, 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[[5-(4-Chlorophenyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C16H15ClN6OS2 |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 3.67522 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.04373 |
| Heavy Atoms | 26 |
| Complexity | 921.22534 |
Chemical Identifiers
| CAS Number | 878426-97-2 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl |
Product Overview
BAS 13406545 (CAS 878426-97-2), with molecular formula C16H15ClN6OS2 and molecular weight 406.04 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of BAS 13406545
Property Insights of BAS 13406545
The XLogP value of 3.67522 indicates that BAS 13406545 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13406545. Following Lipinski's Rule of Five, BAS 13406545 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 13406545?
The CAS number of BAS 13406545 is 878426-97-2.
What is the molecular formula of BAS 13406545?
The molecular formula of BAS 13406545 is C16H15ClN6OS2.
What is the molecular weight of BAS 13406545?
The molecular weight of BAS 13406545 is 406.04 g/mol.
Where can I buy BAS 13406545?
You can request a quote for BAS 13406545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13406545?
Yes, KEHONG BIO provides custom synthesis services for BAS 13406545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.