BAS 04210626
TL;DR: BAS 04210626 (CAS 569644-77-5) is a chemical compound with molecular formula C15H13BrN4O2S and molecular weight 391.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 04210626, N-(4-bromophenyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromophenyl)-2-((5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-bromophenyl)-2-(5-(2-furyl)-4-methyl(1,2,4-triazol-3-ylthio))acetamide, N-(4-bromophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C15H13BrN4O2S |
|---|---|
| Molecular Weight | 391.99 g/mol |
| LogP | 3.5684 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.99426 |
| Heavy Atoms | 23 |
| Complexity | 799.50854 |
Chemical Identifiers
| CAS Number | 569644-77-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC=CO3 |
Product Overview
BAS 04210626 (CAS 569644-77-5), with molecular formula C15H13BrN4O2S and molecular weight 391.99 g/mol. IUPAC: N-(4-bromophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 04210626
Property Insights of BAS 04210626
The XLogP value of 3.5684 indicates that BAS 04210626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04210626. Following Lipinski's Rule of Five, BAS 04210626 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 04210626?
The CAS number of BAS 04210626 is 569644-77-5.
What is the molecular formula of BAS 04210626?
The molecular formula of BAS 04210626 is C15H13BrN4O2S.
What is the molecular weight of BAS 04210626?
The molecular weight of BAS 04210626 is 391.99 g/mol.
Where can I buy BAS 04210626?
You can request a quote for BAS 04210626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04210626?
Yes, KEHONG BIO provides custom synthesis services for BAS 04210626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.