BAS 01810017
TL;DR: BAS 01810017 (CAS 315230-18-3) is a chemical compound with molecular formula C22H18BrN5O2S2 and molecular weight 527.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 01810017, N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-(5-bromo-2-thienyl)methylidene]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetohydrazide, N-[(1E)-2-(5-bromo(2-thienyl))-1-azavinyl]-2-[5-(4-methoxyphenyl)-4-phenyl(1,2 ,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C22H18BrN5O2S2 |
|---|---|
| Molecular Weight | 527.01 g/mol |
| LogP | 5.0093 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.00854 |
| Heavy Atoms | 32 |
| Complexity | 1222.8693 |
Chemical Identifiers
| CAS Number | 315230-18-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=C(S4)Br |
Product Overview
BAS 01810017 (CAS 315230-18-3), with molecular formula C22H18BrN5O2S2 and molecular weight 527.01 g/mol. IUPAC: N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 01810017
Property Insights of BAS 01810017
The XLogP value of 5.0093 indicates that BAS 01810017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01810017. Following Lipinski's Rule of Five, BAS 01810017 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 01810017?
The CAS number of BAS 01810017 is 315230-18-3.
What is the molecular formula of BAS 01810017?
The molecular formula of BAS 01810017 is C22H18BrN5O2S2.
What is the molecular weight of BAS 01810017?
The molecular weight of BAS 01810017 is 527.01 g/mol.
Where can I buy BAS 01810017?
You can request a quote for BAS 01810017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01810017?
Yes, KEHONG BIO provides custom synthesis services for BAS 01810017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.