AB00545359-02
TL;DR: AB00545359-02 (CAS 488137-88-8) is a chemical compound with molecular formula C17H16F3NO2S and molecular weight 355.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AB00545359-02, 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, F1589-1424, 6-methyl-N-(4-(trifluoromethoxy)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, (6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl))-N-[4-(trifluoromethoxy)phe nyl]carboxamide
| Molecular Formula | C17H16F3NO2S |
|---|---|
| Molecular Weight | 355.09 g/mol |
| LogP | 5.0238 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.0854 |
| Heavy Atoms | 24 |
| Complexity | 737.2842 |
Chemical Identifiers
| CAS Number | 488137-88-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC=C2C(=O)NC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
AB00545359-02 (CAS 488137-88-8), with molecular formula C17H16F3NO2S and molecular weight 355.09 g/mol. IUPAC: 6-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AB00545359-02
Property Insights of AB00545359-02
The XLogP value of 5.0238 indicates that AB00545359-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, AB00545359-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00545359-02 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00545359-02?
The CAS number of AB00545359-02 is 488137-88-8.
What is the molecular formula of AB00545359-02?
The molecular formula of AB00545359-02 is C17H16F3NO2S.
What is the molecular weight of AB00545359-02?
The molecular weight of AB00545359-02 is 355.09 g/mol.
Where can I buy AB00545359-02?
You can request a quote for AB00545359-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00545359-02?
Yes, KEHONG BIO provides custom synthesis services for AB00545359-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.