AB00732965-01
TL;DR: AB00732965-01 (CAS 852831-10-8) is a chemical compound with molecular formula C16H14BrN3OS2 and molecular weight 406.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromothiophen-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: AB00732965-01, AB00732965-02, 1-(5-Bromothiophen-2-yl)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one, 1-(5-bromothiophen-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C16H14BrN3OS2 |
|---|---|
| Molecular Weight | 406.98 g/mol |
| LogP | 4.764 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.97617 |
| Heavy Atoms | 23 |
| Complexity | 813.857 |
Chemical Identifiers
| CAS Number | 852831-10-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(S2)Br)C3=CC=CC=C3 |
Product Overview
AB00732965-01 (CAS 852831-10-8), with molecular formula C16H14BrN3OS2 and molecular weight 406.98 g/mol. IUPAC: 1-(5-bromothiophen-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of AB00732965-01
Property Insights of AB00732965-01
The XLogP value of 4.764 indicates that AB00732965-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, AB00732965-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00732965-01 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00732965-01?
The CAS number of AB00732965-01 is 852831-10-8.
What is the molecular formula of AB00732965-01?
The molecular formula of AB00732965-01 is C16H14BrN3OS2.
What is the molecular weight of AB00732965-01?
The molecular weight of AB00732965-01 is 406.98 g/mol.
Where can I buy AB00732965-01?
You can request a quote for AB00732965-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00732965-01?
Yes, KEHONG BIO provides custom synthesis services for AB00732965-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.