N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid
TL;DR: N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid (CAS 109795-70-2) is a chemical compound with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,3-dimethyl-5-oxodithiolan-4-yl)benzamide
Also Known As: 4-Benzoylamino-5,5-dimethyl-1,2-dithiolan-3-one, N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzamide, N-(3,3-dimethyl-5-oxodithiolan-4-yl)benzamide, 4-19-00-04285 (Beilstein Handbook Reference), Benzamide, N-(3,3-dimethyl-5-oxo-1,2-dithiolan-4-yl)-
| Molecular Formula | C12H13NO2S2 |
|---|---|
| Molecular Weight | 267.04 g/mol |
| LogP | 2.4852 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.03876 |
| Heavy Atoms | 17 |
| Complexity | 445.07867 |
Chemical Identifiers
| CAS Number | 109795-70-2 |
|---|---|
| SMILES | CC1(C(C(=O)SS1)NC(=O)C2=CC=CC=C2)C |
Product Overview
N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid (CAS 109795-70-2), with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol. IUPAC: N-(3,3-dimethyl-5-oxodithiolan-4-yl)benzamide.
Chemical Property Profile of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid
Property Insights of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid
The XLogP value of 2.4852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid. With a topological polar surface area (TPSA) of 46.17 Ų, N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid 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 N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid?
The CAS number of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid is 109795-70-2.
What is the molecular formula of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid?
The molecular formula of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid is C12H13NO2S2.
What is the molecular weight of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid?
The molecular weight of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid is 267.04 g/mol.
Where can I buy N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid?
You can request a quote for N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.