IFLab1_001836
TL;DR: IFLab1_001836 (CAS 524693-99-0) is a chemical compound with molecular formula C23H22ClN3O3S and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-2-[[2-(4-chlorophenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
Also Known As: IFLab1_001836, F0526-1470, 6-Benzyl-2-(2-(4-chlorophenoxy)acetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide, 6-benzyl-2-[[2-(4-chlorophenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide, 6-benzyl-2-{[(p-chlorophenoxy)methyl]carbonylamino}-1-thia-6-aza-4,5,6,7-tetrahydro-3-indenecarboxamide
| Molecular Formula | C23H22ClN3O3S |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 4.0762 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.10703 |
| Heavy Atoms | 31 |
| Complexity | 1083.451 |
Chemical Identifiers
| CAS Number | 524693-99-0 |
|---|---|
| SMILES | C1CN(CC2=C1C(=C(S2)NC(=O)COC3=CC=C(C=C3)Cl)C(=O)N)CC4=CC=CC=C4 |
Product Overview
IFLab1_001836 (CAS 524693-99-0), with molecular formula C23H22ClN3O3S and molecular weight 455.11 g/mol. IUPAC: 6-benzyl-2-[[2-(4-chlorophenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
Chemical Property Profile of IFLab1_001836
Property Insights of IFLab1_001836
The XLogP value of 4.0762 indicates that IFLab1_001836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001836. Following Lipinski's Rule of Five, IFLab1_001836 has 2 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_001836?
The CAS number of IFLab1_001836 is 524693-99-0.
What is the molecular formula of IFLab1_001836?
The molecular formula of IFLab1_001836 is C23H22ClN3O3S.
What is the molecular weight of IFLab1_001836?
The molecular weight of IFLab1_001836 is 455.11 g/mol.
Where can I buy IFLab1_001836?
You can request a quote for IFLab1_001836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001836?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.