BAS 00331320
TL;DR: BAS 00331320 (CAS 331003-06-6) is a chemical compound with molecular formula C25H20BrN3OS and molecular weight 489.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone
Also Known As: BAS 00331320, 1-([1,1'-biphenyl]-4-yl)-2-((4-allyl-5-(3-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(biphenyl-4-yl)-2-{[5-(3-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone, 2-{[4-allyl-5-(3-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[1,1'-biphenyl]-4-ylethanone
| Molecular Formula | C25H20BrN3OS |
|---|---|
| Molecular Weight | 489.05 g/mol |
| LogP | 6.5356 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.05106 |
| Heavy Atoms | 31 |
| Complexity | 1203.1864 |
Chemical Identifiers
| CAS Number | 331003-06-6 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Br |
Product Overview
BAS 00331320 (CAS 331003-06-6), with molecular formula C25H20BrN3OS and molecular weight 489.05 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone.
Chemical Property Profile of BAS 00331320
Property Insights of BAS 00331320
The XLogP value of 6.5356 indicates that BAS 00331320 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, BAS 00331320 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00331320 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00331320?
The CAS number of BAS 00331320 is 331003-06-6.
What is the molecular formula of BAS 00331320?
The molecular formula of BAS 00331320 is C25H20BrN3OS.
What is the molecular weight of BAS 00331320?
The molecular weight of BAS 00331320 is 489.05 g/mol.
Where can I buy BAS 00331320?
You can request a quote for BAS 00331320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331320?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.