BAS 13786590
TL;DR: BAS 13786590 (CAS 878442-36-5) is a chemical compound with molecular formula C15H16N6O2S2 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
Also Known As: BAS 13786590, 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide, 2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3,4-thiadiazol-2-yl)acetamide, 2-{5-[(4-methoxyphenyl)methyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-(1,3,4-thia diazol-2-yl)acetamide
| Molecular Formula | C15H16N6O2S2 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 1.9968 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.0776 |
| Heavy Atoms | 25 |
| Complexity | 832.34094 |
Chemical Identifiers
| CAS Number | 878442-36-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=NN=CS2)CC3=CC=C(C=C3)OC |
Product Overview
BAS 13786590 (CAS 878442-36-5), with molecular formula C15H16N6O2S2 and molecular weight 376.08 g/mol. IUPAC: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of BAS 13786590
Property Insights of BAS 13786590
The XLogP value of 1.9968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13786590. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13786590. Following Lipinski's Rule of Five, BAS 13786590 has 1 hydrogen bond donor(s) and 8 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 13786590?
The CAS number of BAS 13786590 is 878442-36-5.
What is the molecular formula of BAS 13786590?
The molecular formula of BAS 13786590 is C15H16N6O2S2.
What is the molecular weight of BAS 13786590?
The molecular weight of BAS 13786590 is 376.08 g/mol.
Where can I buy BAS 13786590?
You can request a quote for BAS 13786590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13786590?
Yes, KEHONG BIO provides custom synthesis services for BAS 13786590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.