IFLab1_004565
TL;DR: IFLab1_004565 (CAS 403844-86-0) is a chemical compound with molecular formula C17H19N3O3S2 and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-pyrimidin-2-ylsulfanylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: IFLab1_004565, IDI1_010320, F1016-0836, ethyl 2-(2-(pyrimidin-2-ylthio)propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[2-(pyrimidin-2-ylsulfanyl)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C17H19N3O3S2 |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 3.3228 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.0868 |
| Heavy Atoms | 25 |
| Complexity | 776.9453 |
Chemical Identifiers
| CAS Number | 403844-86-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NC=CC=N3 |
Product Overview
IFLab1_004565 (CAS 403844-86-0), with molecular formula C17H19N3O3S2 and molecular weight 377.09 g/mol. IUPAC: ethyl 2-(2-pyrimidin-2-ylsulfanylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of IFLab1_004565
Property Insights of IFLab1_004565
The XLogP value of 3.3228 indicates that IFLab1_004565 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 IFLab1_004565. Following Lipinski's Rule of Five, IFLab1_004565 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 IFLab1_004565?
The CAS number of IFLab1_004565 is 403844-86-0.
What is the molecular formula of IFLab1_004565?
The molecular formula of IFLab1_004565 is C17H19N3O3S2.
What is the molecular weight of IFLab1_004565?
The molecular weight of IFLab1_004565 is 377.09 g/mol.
Where can I buy IFLab1_004565?
You can request a quote for IFLab1_004565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004565?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.