IFLab1_003547
TL;DR: IFLab1_003547 (CAS 477485-26-0) is a chemical compound with molecular formula C16H10ClN3OS2 and molecular weight 359.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
Also Known As: IFLab1_003547, IDI1_009654, F0816-0005, (Z)-N-(6-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)benzo[d]thiazole-2-carboxamide, N-[(2Z)-6-chloro-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-2-carboxamide
| Molecular Formula | C16H10ClN3OS2 |
|---|---|
| Molecular Weight | 359.00 g/mol |
| LogP | 4.244 |
| Topological Polar Surface Area | 47.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 358.9954 |
| Heavy Atoms | 23 |
| Complexity | 1090.2184 |
Chemical Identifiers
| CAS Number | 477485-26-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=NC4=CC=CC=C4S3 |
Product Overview
IFLab1_003547 (CAS 477485-26-0), with molecular formula C16H10ClN3OS2 and molecular weight 359.00 g/mol. IUPAC: N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide.
Chemical Property Profile of IFLab1_003547
Property Insights of IFLab1_003547
The XLogP value of 4.244 indicates that IFLab1_003547 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.25 Ų, IFLab1_003547 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_003547 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_003547?
The CAS number of IFLab1_003547 is 477485-26-0.
What is the molecular formula of IFLab1_003547?
The molecular formula of IFLab1_003547 is C16H10ClN3OS2.
What is the molecular weight of IFLab1_003547?
The molecular weight of IFLab1_003547 is 359.00 g/mol.
Where can I buy IFLab1_003547?
You can request a quote for IFLab1_003547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003547?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.