IFLab1_004887
TL;DR: IFLab1_004887 (CAS 378778-86-0) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: IFLab1_004887, IDI1_010642, BAS 03304697, AS-871/41319009, 2-{[(4-methoxyphenyl)carbonyl]amino}-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H26N2O4S |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 3.7966 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.16132 |
| Heavy Atoms | 29 |
| Complexity | 884.9624 |
Chemical Identifiers
| CAS Number | 378778-86-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4CCCO4 |
Product Overview
IFLab1_004887 (CAS 378778-86-0), with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol. IUPAC: 2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of IFLab1_004887
Property Insights of IFLab1_004887
The XLogP value of 3.7966 indicates that IFLab1_004887 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004887. Following Lipinski's Rule of Five, IFLab1_004887 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_004887?
The CAS number of IFLab1_004887 is 378778-86-0.
What is the molecular formula of IFLab1_004887?
The molecular formula of IFLab1_004887 is C22H26N2O4S.
What is the molecular weight of IFLab1_004887?
The molecular weight of IFLab1_004887 is 414.16 g/mol.
Where can I buy IFLab1_004887?
You can request a quote for IFLab1_004887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004887?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.