ChemDiv1_012356
TL;DR: ChemDiv1_012356 (CAS 357611-74-6) is a chemical compound with molecular formula C19H22F3N3O3S and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_012356, BAS 00924182, BIM-0000443.P001, ethyl 6-methyl-2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-(2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C19H22F3N3O3S |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 4.21202 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.1334 |
| Heavy Atoms | 29 |
| Complexity | 933.255 |
Chemical Identifiers
| CAS Number | 357611-74-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=CC(=N3)C(F)(F)F)C |
Product Overview
ChemDiv1_012356 (CAS 357611-74-6), with molecular formula C19H22F3N3O3S and molecular weight 429.13 g/mol. IUPAC: ethyl 6-methyl-2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_012356
Property Insights of ChemDiv1_012356
The XLogP value of 4.21202 indicates that ChemDiv1_012356 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012356. Following Lipinski's Rule of Five, ChemDiv1_012356 has 1 hydrogen bond donor(s) and 5 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_012356?
The CAS number of ChemDiv1_012356 is 357611-74-6.
What is the molecular formula of ChemDiv1_012356?
The molecular formula of ChemDiv1_012356 is C19H22F3N3O3S.
What is the molecular weight of ChemDiv1_012356?
The molecular weight of ChemDiv1_012356 is 429.13 g/mol.
Where can I buy ChemDiv1_012356?
You can request a quote for ChemDiv1_012356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012356?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.