BAS 00367859
TL;DR: BAS 00367859 (CAS 306757-06-2) is a chemical compound with molecular formula C27H28N6O3S and molecular weight 516.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
Also Known As: BAS 00367859, (Z)-2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide, 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-dimethylaminophenyl)methylideneamino]acetamide
| Molecular Formula | C27H28N6O3S |
|---|---|
| Molecular Weight | 516.19 g/mol |
| LogP | 4.2599 |
| Topological Polar Surface Area | 93.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 516.19434 |
| Heavy Atoms | 37 |
| Complexity | 1370.9193 |
Chemical Identifiers
| CAS Number | 306757-06-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=N\NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC |
Product Overview
BAS 00367859 (CAS 306757-06-2), with molecular formula C27H28N6O3S and molecular weight 516.19 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide.
Chemical Property Profile of BAS 00367859
Property Insights of BAS 00367859
The XLogP value of 4.2599 indicates that BAS 00367859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00367859. Following Lipinski's Rule of Five, BAS 00367859 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00367859?
The CAS number of BAS 00367859 is 306757-06-2.
What is the molecular formula of BAS 00367859?
The molecular formula of BAS 00367859 is C27H28N6O3S.
What is the molecular weight of BAS 00367859?
The molecular weight of BAS 00367859 is 516.19 g/mol.
Where can I buy BAS 00367859?
You can request a quote for BAS 00367859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00367859?
Yes, KEHONG BIO provides custom synthesis services for BAS 00367859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.