IFLab1_003448
TL;DR: IFLab1_003448 (CAS 314244-59-2) is a chemical compound with molecular formula C18H14FN3OS and molecular weight 339.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylpyrrol-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one
Also Known As: IFLab1_003448, SDCCGSBI-0659383.P001, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, AF-399/37330004, F0745-0101
| Molecular Formula | C18H14FN3OS |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.08417 |
| Heavy Atoms | 24 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 314244-59-2 |
|---|---|
| SMILES | CC1=CC=C(N1N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F)C |
| InChIKey | SMVLXIBZSVXCSQ-UHFFFAOYSA-N |
Product Overview
IFLab1_003448 (CAS 314244-59-2), with molecular formula C18H14FN3OS and molecular weight 339.08 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of IFLab1_003448
Property Insights of IFLab1_003448
The XLogP value of 4.2 indicates that IFLab1_003448 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003448. Following Lipinski's Rule of Five, IFLab1_003448 has 0 hydrogen bond donor(s) and 4 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_003448?
The CAS number of IFLab1_003448 is 314244-59-2.
What is the molecular formula of IFLab1_003448?
The molecular formula of IFLab1_003448 is C18H14FN3OS.
What is the molecular weight of IFLab1_003448?
The molecular weight of IFLab1_003448 is 339.08 g/mol.
Where can I buy IFLab1_003448?
You can request a quote for IFLab1_003448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003448?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.