IFLab1_005471
TL;DR: IFLab1_005471 (CAS 864859-73-4) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-methylpropanamide
Also Known As: IFLab1_005471, IDI1_010874, VU0489083-1, AB00673799-01, F1298-0993
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 4.5239 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 1002.20294 |
Chemical Identifiers
| CAS Number | 864859-73-4 |
|---|---|
| SMILES | CC(C)C(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)C)C3=NC4=CC=CC=C4S3 |
Product Overview
IFLab1_005471 (CAS 864859-73-4), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-methylpropanamide.
Chemical Property Profile of IFLab1_005471
Property Insights of IFLab1_005471
The XLogP value of 4.5239 indicates that IFLab1_005471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005471. Following Lipinski's Rule of Five, IFLab1_005471 has 1 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_005471?
The CAS number of IFLab1_005471 is 864859-73-4.
What is the molecular formula of IFLab1_005471?
The molecular formula of IFLab1_005471 is C20H21N3O2S2.
What is the molecular weight of IFLab1_005471?
The molecular weight of IFLab1_005471 is 399.11 g/mol.
Where can I buy IFLab1_005471?
You can request a quote for IFLab1_005471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005471?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.