IFLab1_001074
TL;DR: IFLab1_001074 (CAS 330191-09-8) is a chemical compound with molecular formula C16H22N2O2S and molecular weight 306.14 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)cyclohexanecarboxamide
Also Known As: IFLab1_001074, IDI1_008941, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide, F0327-0064, N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
| Molecular Formula | C16H22N2O2S |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 3.817 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.1402 |
| Heavy Atoms | 21 |
| Complexity | 570.83215 |
Chemical Identifiers
| CAS Number | 330191-09-8 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3CCCCC3)C |
Product Overview
IFLab1_001074 (CAS 330191-09-8), with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol. IUPAC: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide.
Chemical Property Profile of IFLab1_001074
Property Insights of IFLab1_001074
The XLogP value of 3.817 indicates that IFLab1_001074 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, IFLab1_001074 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_001074 has 1 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_001074?
The CAS number of IFLab1_001074 is 330191-09-8.
What is the molecular formula of IFLab1_001074?
The molecular formula of IFLab1_001074 is C16H22N2O2S.
What is the molecular weight of IFLab1_001074?
The molecular weight of IFLab1_001074 is 306.14 g/mol.
Where can I buy IFLab1_001074?
You can request a quote for IFLab1_001074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001074?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.