ChemDiv3_001696
TL;DR: ChemDiv3_001696 (CAS 391866-52-7) is a chemical compound with molecular formula C20H16F3N3O2S and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide
Also Known As: ChemDiv3_001696, IDI1_020662, BRD-K87308946-001-01-3, N-(2-(4-methoxyphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide, F0453-0491
| Molecular Formula | C20H16F3N3O2S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 4.8988 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.09152 |
| Heavy Atoms | 29 |
| Complexity | 1061.8236 |
Chemical Identifiers
| CAS Number | 391866-52-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=CC=C4C(F)(F)F |
Product Overview
ChemDiv3_001696 (CAS 391866-52-7), with molecular formula C20H16F3N3O2S and molecular weight 419.09 g/mol. IUPAC: N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide.
Chemical Property Profile of ChemDiv3_001696
Property Insights of ChemDiv3_001696
The XLogP value of 4.8988 indicates that ChemDiv3_001696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, ChemDiv3_001696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_001696 has 1 hydrogen bond donor(s) and 4 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 ChemDiv3_001696?
The CAS number of ChemDiv3_001696 is 391866-52-7.
What is the molecular formula of ChemDiv3_001696?
The molecular formula of ChemDiv3_001696 is C20H16F3N3O2S.
What is the molecular weight of ChemDiv3_001696?
The molecular weight of ChemDiv3_001696 is 419.09 g/mol.
Where can I buy ChemDiv3_001696?
You can request a quote for ChemDiv3_001696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001696?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.