BAS 00367861
TL;DR: BAS 00367861 (CAS 306757-11-9) is a chemical compound with molecular formula C25H22BrN5O3S and molecular weight 551.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-bromophenyl)methylideneamino]-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 00367861, N'-[(E)-(4-bromophenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N-[(E)-(4-bromophenyl)methylideneamino]-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, (E)-N'-(4-bromobenzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-(4-bromobenzylidene)-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
| Molecular Formula | C25H22BrN5O3S |
|---|---|
| Molecular Weight | 551.06 g/mol |
| LogP | 4.9564 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 551.0627 |
| Heavy Atoms | 35 |
| Complexity | 1326.9491 |
Chemical Identifiers
| CAS Number | 306757-11-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=C(C=C4)Br)OC |
Product Overview
BAS 00367861 (CAS 306757-11-9), with molecular formula C25H22BrN5O3S and molecular weight 551.06 g/mol. IUPAC: N-[(E)-(4-bromophenyl)methylideneamino]-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 00367861
Property Insights of BAS 00367861
The XLogP value of 4.9564 indicates that BAS 00367861 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00367861. Following Lipinski's Rule of Five, BAS 00367861 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00367861?
The CAS number of BAS 00367861 is 306757-11-9.
What is the molecular formula of BAS 00367861?
The molecular formula of BAS 00367861 is C25H22BrN5O3S.
What is the molecular weight of BAS 00367861?
The molecular weight of BAS 00367861 is 551.06 g/mol.
Where can I buy BAS 00367861?
You can request a quote for BAS 00367861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00367861?
Yes, KEHONG BIO provides custom synthesis services for BAS 00367861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.