IFLab1_001016
TL;DR: IFLab1_001016 (CAS 297760-39-5) is a chemical compound with molecular formula C19H24N2O2S and molecular weight 344.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methoxybenzamide
Also Known As: IFLab1_001016, AE-848/08361042, N-[3-(dimethylaminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methoxybenzamide, N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methoxybenzamide, N-{3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-4-methoxybenzamide
| Molecular Formula | C19H24N2O2S |
|---|---|
| Molecular Weight | 344.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.15585 |
| Heavy Atoms | 24 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 297760-39-5 |
|---|---|
| SMILES | CN(C)CC1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OC |
| InChIKey | CEKKFNMJUDIFDJ-UHFFFAOYSA-N |
Product Overview
IFLab1_001016 (CAS 297760-39-5), with molecular formula C19H24N2O2S and molecular weight 344.16 g/mol. IUPAC: N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methoxybenzamide.
Chemical Property Profile of IFLab1_001016
Property Insights of IFLab1_001016
The XLogP value of 3.8 indicates that IFLab1_001016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001016. Following Lipinski's Rule of Five, IFLab1_001016 has 1 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_001016?
The CAS number of IFLab1_001016 is 297760-39-5.
What is the molecular formula of IFLab1_001016?
The molecular formula of IFLab1_001016 is C19H24N2O2S.
What is the molecular weight of IFLab1_001016?
The molecular weight of IFLab1_001016 is 344.16 g/mol.
Where can I buy IFLab1_001016?
You can request a quote for IFLab1_001016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001016?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.