BAS 01810006
TL;DR: BAS 01810006 (CAS 315230-07-0) is a chemical compound with molecular formula C25H20F3N5O2S and molecular weight 511.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Also Known As: BAS 01810006, 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide, (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide, 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide, 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
| Molecular Formula | C25H20F3N5O2S |
|---|---|
| Molecular Weight | 511.13 g/mol |
| LogP | 5.2041 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.12897 |
| Heavy Atoms | 36 |
| Complexity | 1339.1298 |
Chemical Identifiers
| CAS Number | 315230-07-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=C(C=C4)C(F)(F)F |
Product Overview
BAS 01810006 (CAS 315230-07-0), with molecular formula C25H20F3N5O2S and molecular weight 511.13 g/mol. IUPAC: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide.
Chemical Property Profile of BAS 01810006
Property Insights of BAS 01810006
The XLogP value of 5.2041 indicates that BAS 01810006 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 01810006. Following Lipinski's Rule of Five, BAS 01810006 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01810006?
The CAS number of BAS 01810006 is 315230-07-0.
What is the molecular formula of BAS 01810006?
The molecular formula of BAS 01810006 is C25H20F3N5O2S.
What is the molecular weight of BAS 01810006?
The molecular weight of BAS 01810006 is 511.13 g/mol.
Where can I buy BAS 01810006?
You can request a quote for BAS 01810006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01810006?
Yes, KEHONG BIO provides custom synthesis services for BAS 01810006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.