IFLab1_005215
TL;DR: IFLab1_005215 (CAS 330555-57-2) is a chemical compound with molecular formula C18H21N3O3S2 and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: IFLab1_005215, BAS 01313797, BRD-K24797573-001-01-3, ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-{2-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]ACETAMIDO}-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H21N3O3S2 |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 3.55114 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.10245 |
| Heavy Atoms | 26 |
| Complexity | 828.19714 |
Chemical Identifiers
| CAS Number | 330555-57-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC(=CC(=N3)C)C |
Product Overview
IFLab1_005215 (CAS 330555-57-2), with molecular formula C18H21N3O3S2 and molecular weight 391.10 g/mol. IUPAC: ethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of IFLab1_005215
Property Insights of IFLab1_005215
The XLogP value of 3.55114 indicates that IFLab1_005215 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_005215. Following Lipinski's Rule of Five, IFLab1_005215 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_005215?
The CAS number of IFLab1_005215 is 330555-57-2.
What is the molecular formula of IFLab1_005215?
The molecular formula of IFLab1_005215 is C18H21N3O3S2.
What is the molecular weight of IFLab1_005215?
The molecular weight of IFLab1_005215 is 391.10 g/mol.
Where can I buy IFLab1_005215?
You can request a quote for IFLab1_005215 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005215?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005215 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.