ChemDiv1_012520
TL;DR: ChemDiv1_012520 (CAS 299406-74-9) is a chemical compound with molecular formula C18H19BrF3N3O5S and molecular weight 525.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_012520, BAS 00398038, diethyl 5-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate, diethyl 5-(2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C18H19BrF3N3O5S |
|---|---|
| Molecular Weight | 525.02 g/mol |
| LogP | 4.33484 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.01807 |
| Heavy Atoms | 31 |
| Complexity | 1016.22815 |
Chemical Identifiers
| CAS Number | 299406-74-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C |
Product Overview
ChemDiv1_012520 (CAS 299406-74-9), with molecular formula C18H19BrF3N3O5S and molecular weight 525.02 g/mol. IUPAC: diethyl 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_012520
Property Insights of ChemDiv1_012520
The XLogP value of 4.33484 indicates that ChemDiv1_012520 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_012520. Following Lipinski's Rule of Five, ChemDiv1_012520 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012520?
The CAS number of ChemDiv1_012520 is 299406-74-9.
What is the molecular formula of ChemDiv1_012520?
The molecular formula of ChemDiv1_012520 is C18H19BrF3N3O5S.
What is the molecular weight of ChemDiv1_012520?
The molecular weight of ChemDiv1_012520 is 525.02 g/mol.
Where can I buy ChemDiv1_012520?
You can request a quote for ChemDiv1_012520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012520?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.