IFLab1_004986
TL;DR: IFLab1_004986 (CAS 420100-24-9) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
Also Known As: IFLab1_004986, ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 4.6082 |
| Topological Polar Surface Area | 74.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 974.8801 |
Chemical Identifiers
| CAS Number | 420100-24-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=C(C=C3)OC)C4CC4)N |
Product Overview
IFLab1_004986 (CAS 420100-24-9), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate.
Chemical Property Profile of IFLab1_004986
Property Insights of IFLab1_004986
The XLogP value of 4.6082 indicates that IFLab1_004986 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.44 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004986. Following Lipinski's Rule of Five, IFLab1_004986 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_004986?
The CAS number of IFLab1_004986 is 420100-24-9.
What is the molecular formula of IFLab1_004986?
The molecular formula of IFLab1_004986 is C20H20N2O3S.
What is the molecular weight of IFLab1_004986?
The molecular weight of IFLab1_004986 is 368.12 g/mol.
Where can I buy IFLab1_004986?
You can request a quote for IFLab1_004986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004986?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.