IFLab1_005529
TL;DR: IFLab1_005529 (CAS 864975-87-1) is a chemical compound with molecular formula C18H17BrN2O3S and molecular weight 420.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide
Also Known As: IFLab1_005529, IDI1_010932, F1359-0677, (Z)-N-(6-bromo-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-3-methoxybenzamide, N-[(2Z)-6-bromo-3-(2-methoxyethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide
| Molecular Formula | C18H17BrN2O3S |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 3.8614 |
| Topological Polar Surface Area | 52.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.01434 |
| Heavy Atoms | 25 |
| Complexity | 977.8568 |
Chemical Identifiers
| CAS Number | 864975-87-1 |
|---|---|
| SMILES | COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=CC=C3)OC |
Product Overview
IFLab1_005529 (CAS 864975-87-1), with molecular formula C18H17BrN2O3S and molecular weight 420.01 g/mol. IUPAC: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide.
Chemical Property Profile of IFLab1_005529
Property Insights of IFLab1_005529
The XLogP value of 3.8614 indicates that IFLab1_005529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.82 Ų, IFLab1_005529 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_005529 has 0 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_005529?
The CAS number of IFLab1_005529 is 864975-87-1.
What is the molecular formula of IFLab1_005529?
The molecular formula of IFLab1_005529 is C18H17BrN2O3S.
What is the molecular weight of IFLab1_005529?
The molecular weight of IFLab1_005529 is 420.01 g/mol.
Where can I buy IFLab1_005529?
You can request a quote for IFLab1_005529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005529?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.