IFLab1_004870
TL;DR: IFLab1_004870 (CAS 380565-79-7) is a chemical compound with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-pyridin-4-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: IFLab1_004870, BAS 03304044, IDI1_010625, AB00115162-01, 3-hydroxy-1-(pyridin-3-ylmethyl)-5-(pyridin-4-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C20H15N3O3S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 3.3166 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.0834 |
| Heavy Atoms | 27 |
| Complexity | 1001.4757 |
Chemical Identifiers
| CAS Number | 380565-79-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)CN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=NC=C4 |
Product Overview
IFLab1_004870 (CAS 380565-79-7), with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol. IUPAC: 4-hydroxy-2-pyridin-4-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of IFLab1_004870
Property Insights of IFLab1_004870
The XLogP value of 3.3166 indicates that IFLab1_004870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004870. Following Lipinski's Rule of Five, IFLab1_004870 has 1 hydrogen bond donor(s) and 6 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_004870?
The CAS number of IFLab1_004870 is 380565-79-7.
What is the molecular formula of IFLab1_004870?
The molecular formula of IFLab1_004870 is C20H15N3O3S.
What is the molecular weight of IFLab1_004870?
The molecular weight of IFLab1_004870 is 377.08 g/mol.
Where can I buy IFLab1_004870?
You can request a quote for IFLab1_004870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004870?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.