IFLab1_004928
TL;DR: IFLab1_004928 (CAS 438622-90-3) is a chemical compound with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(2-chlorophenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
Also Known As: IFLab1_004928, BAS 03242880, IDI1_010683, 3-amino-4-(2-chlorophenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide, 3-amino-2-carbamoyl-4-(2-chlorophenyl)-6-oxo-4,5,6,7-tetrahydrothieno[2,3-b]pyridine
| Molecular Formula | C14H12ClN3O2S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 2.5567 |
| Topological Polar Surface Area | 98.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.03387 |
| Heavy Atoms | 21 |
| Complexity | 756.67255 |
Chemical Identifiers
| CAS Number | 438622-90-3 |
|---|---|
| SMILES | C1C(C2=C(NC1=O)SC(=C2N)C(=O)N)C3=CC=CC=C3Cl |
Product Overview
IFLab1_004928 (CAS 438622-90-3), with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol. IUPAC: 3-amino-4-(2-chlorophenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
Chemical Property Profile of IFLab1_004928
Property Insights of IFLab1_004928
The XLogP value of 2.5567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004928. The TPSA of 98.21 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004928. Following Lipinski's Rule of Five, IFLab1_004928 has 3 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_004928?
The CAS number of IFLab1_004928 is 438622-90-3.
What is the molecular formula of IFLab1_004928?
The molecular formula of IFLab1_004928 is C14H12ClN3O2S.
What is the molecular weight of IFLab1_004928?
The molecular weight of IFLab1_004928 is 321.03 g/mol.
Where can I buy IFLab1_004928?
You can request a quote for IFLab1_004928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004928?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.