ChemDiv1_000919
TL;DR: ChemDiv1_000919 (CAS 299406-48-7) is a chemical compound with molecular formula C18H20F3N3O5S and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_000919, BAS 00398015, AB00092614-01, diethyl 3-methyl-5-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-2,4-thiophenedicarboxylate, diethyl 3-methyl-5-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate
| Molecular Formula | C18H20F3N3O5S |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 3.57234 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.10757 |
| Heavy Atoms | 30 |
| Complexity | 965.15875 |
Chemical Identifiers
| CAS Number | 299406-48-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=CC(=N2)C(F)(F)F)C |
Product Overview
ChemDiv1_000919 (CAS 299406-48-7), with molecular formula C18H20F3N3O5S and molecular weight 447.11 g/mol. IUPAC: diethyl 3-methyl-5-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_000919
Property Insights of ChemDiv1_000919
The XLogP value of 3.57234 indicates that ChemDiv1_000919 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000919. Following Lipinski's Rule of Five, ChemDiv1_000919 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_000919?
The CAS number of ChemDiv1_000919 is 299406-48-7.
What is the molecular formula of ChemDiv1_000919?
The molecular formula of ChemDiv1_000919 is C18H20F3N3O5S.
What is the molecular weight of ChemDiv1_000919?
The molecular weight of ChemDiv1_000919 is 447.11 g/mol.
Where can I buy ChemDiv1_000919?
You can request a quote for ChemDiv1_000919 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000919?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.