IFLab1_002459
TL;DR: IFLab1_002459 (CAS 686770-47-8) is a chemical compound with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: IFLab1_002459, AB00668690-01, F0579-0029, N-cyclohexyl-2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-cyclohexyl-2-({4-oxo-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
| Molecular Formula | C20H23N3O2S2 |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 3.4217 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.12317 |
| Heavy Atoms | 27 |
| Complexity | 876.7858 |
Chemical Identifiers
| CAS Number | 686770-47-8 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)SCC3 |
Product Overview
IFLab1_002459 (CAS 686770-47-8), with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol. IUPAC: N-cyclohexyl-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of IFLab1_002459
Property Insights of IFLab1_002459
The XLogP value of 3.4217 indicates that IFLab1_002459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002459. Following Lipinski's Rule of Five, IFLab1_002459 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 IFLab1_002459?
The CAS number of IFLab1_002459 is 686770-47-8.
What is the molecular formula of IFLab1_002459?
The molecular formula of IFLab1_002459 is C20H23N3O2S2.
What is the molecular weight of IFLab1_002459?
The molecular weight of IFLab1_002459 is 401.12 g/mol.
Where can I buy IFLab1_002459?
You can request a quote for IFLab1_002459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002459?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.