IFLab1_006371
TL;DR: IFLab1_006371 (CAS 866014-15-5) is a chemical compound with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide
Also Known As: IFLab1_006371, 4-(1,1-dioxo-4H-1, F1601-0445, 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)-3,3-dimethyl-N-(4-methylphenethyl)butanamide
| Molecular Formula | C22H27N3O3S |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.67302 |
| Topological Polar Surface Area | 87.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.1773 |
| Heavy Atoms | 29 |
| Complexity | 1025.523 |
Chemical Identifiers
| CAS Number | 866014-15-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CCNC(=O)CC(C)(C)CC2=NS(=O)(=O)C3=CC=CC=C3N2 |
Product Overview
IFLab1_006371 (CAS 866014-15-5), with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol. IUPAC: 4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide.
Chemical Property Profile of IFLab1_006371
Property Insights of IFLab1_006371
The XLogP value of 3.67302 indicates that IFLab1_006371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.63 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_006371. Following Lipinski's Rule of Five, IFLab1_006371 has 2 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_006371?
The CAS number of IFLab1_006371 is 866014-15-5.
What is the molecular formula of IFLab1_006371?
The molecular formula of IFLab1_006371 is C22H27N3O3S.
What is the molecular weight of IFLab1_006371?
The molecular weight of IFLab1_006371 is 413.18 g/mol.
Where can I buy IFLab1_006371?
You can request a quote for IFLab1_006371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006371?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.