BAS 00547387
TL;DR: BAS 00547387 (CAS 306756-41-2) is a chemical compound with molecular formula C21H17N5O2S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide
Also Known As: BAS 00547387, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide, 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-furylmethylene)acetohydrazide, (E)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide, 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-N'-[(E)-2-furylmethylidene]acetohydrazide
| Molecular Formula | C21H17N5O2S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 3.7697 |
| Topological Polar Surface Area | 85.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.1103 |
| Heavy Atoms | 29 |
| Complexity | 1092.8339 |
Chemical Identifiers
| CAS Number | 306756-41-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=CO4 |
Product Overview
BAS 00547387 (CAS 306756-41-2), with molecular formula C21H17N5O2S and molecular weight 403.11 g/mol. IUPAC: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide.
Chemical Property Profile of BAS 00547387
Property Insights of BAS 00547387
The XLogP value of 3.7697 indicates that BAS 00547387 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00547387. Following Lipinski's Rule of Five, BAS 00547387 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 00547387?
The CAS number of BAS 00547387 is 306756-41-2.
What is the molecular formula of BAS 00547387?
The molecular formula of BAS 00547387 is C21H17N5O2S.
What is the molecular weight of BAS 00547387?
The molecular weight of BAS 00547387 is 403.11 g/mol.
Where can I buy BAS 00547387?
You can request a quote for BAS 00547387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00547387?
Yes, KEHONG BIO provides custom synthesis services for BAS 00547387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.