AB01316500-02
TL;DR: AB01316500-02 (CAS 5400-73-7) is a chemical compound with molecular formula C12H6BrClF3NOS2 and molecular weight 414.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromothiophen-2-yl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
Also Known As: AB01316500-02, 1-(5-bromothiophen-2-yl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone, 1-(5-bromothiophen-2-yl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone
| Molecular Formula | C12H6BrClF3NOS2 |
|---|---|
| Molecular Weight | 414.87 g/mol |
| LogP | 5.5528 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.8715 |
| Heavy Atoms | 21 |
| Complexity | 674.7624 |
Chemical Identifiers
| CAS Number | 5400-73-7 |
|---|---|
| SMILES | C1=C(SC(=C1)Br)C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
AB01316500-02 (CAS 5400-73-7), with molecular formula C12H6BrClF3NOS2 and molecular weight 414.87 g/mol. IUPAC: 1-(5-bromothiophen-2-yl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.
Chemical Property Profile of AB01316500-02
Property Insights of AB01316500-02
The XLogP value of 5.5528 indicates that AB01316500-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, AB01316500-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01316500-02 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 AB01316500-02?
The CAS number of AB01316500-02 is 5400-73-7.
What is the molecular formula of AB01316500-02?
The molecular formula of AB01316500-02 is C12H6BrClF3NOS2.
What is the molecular weight of AB01316500-02?
The molecular weight of AB01316500-02 is 414.87 g/mol.
Where can I buy AB01316500-02?
You can request a quote for AB01316500-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01316500-02?
Yes, KEHONG BIO provides custom synthesis services for AB01316500-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.