IFLab1_000672
TL;DR: IFLab1_000672 (CAS 325979-72-4) is a chemical compound with molecular formula C16H15FN2O2S and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
Also Known As: IFLab1_000672, IDI1_008891, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-fluorobenzamide, 4-Fluoro-N-(4,5,6,7-tetrahydro-5,5-dimethyl-7-oxo-2-benzothiazolyl)benzamide, N-(5,5-dimethyl-7-oxo(4,5,6-trihydrobenzothiazol-2-yl))(4-fluorophenyl)carboxa mide
| Molecular Formula | C16H15FN2O2S |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.08383 |
| Heavy Atoms | 22 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 325979-72-4 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=C(C=C3)F)C |
| InChIKey | GQCJNILKEQKOHP-UHFFFAOYSA-N |
Product Overview
IFLab1_000672 (CAS 325979-72-4), with molecular formula C16H15FN2O2S and molecular weight 318.08 g/mol. IUPAC: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-fluorobenzamide.
Chemical Property Profile of IFLab1_000672
Property Insights of IFLab1_000672
The XLogP value of 3.5 indicates that IFLab1_000672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000672. Following Lipinski's Rule of Five, IFLab1_000672 has 1 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_000672?
The CAS number of IFLab1_000672 is 325979-72-4.
What is the molecular formula of IFLab1_000672?
The molecular formula of IFLab1_000672 is C16H15FN2O2S.
What is the molecular weight of IFLab1_000672?
The molecular weight of IFLab1_000672 is 318.08 g/mol.
Where can I buy IFLab1_000672?
You can request a quote for IFLab1_000672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000672?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.