A2433/0103098
TL;DR: A2433/0103098 (CAS 317325-44-3) is a chemical compound with molecular formula C21H24F3N3O3S2 and molecular weight 487.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-ethyl-2-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A2433/0103098, ethyl 6-ethyl-2-[({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-ethyl-2-(2-((4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 6-ETHYL-2-(2-{[4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 6-ethyl-2-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H24F3N3O3S2 |
|---|---|
| Molecular Weight | 487.12 g/mol |
| LogP | 5.28772 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.12112 |
| Heavy Atoms | 32 |
| Complexity | 1008.1517 |
Chemical Identifiers
| CAS Number | 317325-44-3 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C |
Product Overview
A2433/0103098 (CAS 317325-44-3), with molecular formula C21H24F3N3O3S2 and molecular weight 487.12 g/mol. IUPAC: ethyl 6-ethyl-2-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A2433/0103098
Property Insights of A2433/0103098
The XLogP value of 5.28772 indicates that A2433/0103098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for A2433/0103098. Following Lipinski's Rule of Five, A2433/0103098 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 A2433/0103098?
The CAS number of A2433/0103098 is 317325-44-3.
What is the molecular formula of A2433/0103098?
The molecular formula of A2433/0103098 is C21H24F3N3O3S2.
What is the molecular weight of A2433/0103098?
The molecular weight of A2433/0103098 is 487.12 g/mol.
Where can I buy A2433/0103098?
You can request a quote for A2433/0103098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2433/0103098?
Yes, KEHONG BIO provides custom synthesis services for A2433/0103098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.