IFLab1_003197
TL;DR: IFLab1_003197 (CAS 356569-82-9) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-d]pyrimidin-4-one
Also Known As: IFLab1_003197, AF-399/13907033, 5-(3,4-dimethoxyphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one, F0745-1148, 5-(3,4-dimethoxyphenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.87194 |
| Topological Polar Surface Area | 58.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 1183.6218 |
Chemical Identifiers
| CAS Number | 356569-82-9 |
|---|---|
| SMILES | CC1=CC=C(N1N2C=NC3=C(C2=O)C(=CS3)C4=CC(=C(C=C4)OC)OC)C |
Product Overview
IFLab1_003197 (CAS 356569-82-9), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of IFLab1_003197
Property Insights of IFLab1_003197
The XLogP value of 3.87194 indicates that IFLab1_003197 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.28 Ų, IFLab1_003197 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_003197 has 0 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_003197?
The CAS number of IFLab1_003197 is 356569-82-9.
What is the molecular formula of IFLab1_003197?
The molecular formula of IFLab1_003197 is C20H19N3O3S.
What is the molecular weight of IFLab1_003197?
The molecular weight of IFLab1_003197 is 381.11 g/mol.
Where can I buy IFLab1_003197?
You can request a quote for IFLab1_003197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003197?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.