IFLab1_004798
TL;DR: IFLab1_004798 (CAS 367908-46-1) is a chemical compound with molecular formula C20H20N2O4S2 and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: IFLab1_004798, IDI1_010553, BAS 03571797, AB00673172-01, AF-399/40851217
| Molecular Formula | C20H20N2O4S2 |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 3.8551 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.08646 |
| Heavy Atoms | 28 |
| Complexity | 953.6775 |
Chemical Identifiers
| CAS Number | 367908-46-1 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3 |
Product Overview
IFLab1_004798 (CAS 367908-46-1), with molecular formula C20H20N2O4S2 and molecular weight 416.09 g/mol. IUPAC: methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of IFLab1_004798
Property Insights of IFLab1_004798
The XLogP value of 3.8551 indicates that IFLab1_004798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004798. Following Lipinski's Rule of Five, IFLab1_004798 has 2 hydrogen bond donor(s) and 6 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_004798?
The CAS number of IFLab1_004798 is 367908-46-1.
What is the molecular formula of IFLab1_004798?
The molecular formula of IFLab1_004798 is C20H20N2O4S2.
What is the molecular weight of IFLab1_004798?
The molecular weight of IFLab1_004798 is 416.09 g/mol.
Where can I buy IFLab1_004798?
You can request a quote for IFLab1_004798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004798?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.