N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
TL;DR: N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide (CAS 195436-86-3) is a chemical compound with molecular formula C21H31BN2O7S and molecular weight 466.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
Also Known As: N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide, b-[2-[[(3,4-Dimethyl-5-isoxazolyl)[(2-methoxyethoxy)methyl]amino]sulfonyl]phenyl] pinacol ester, N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(2-methoxyethoxy)methyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide, N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide, N-(3,4-dimethyl-5-isoxazolyl)-N-[(2-methoxyethoxy)methyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
| Molecular Formula | C21H31BN2O7S |
|---|---|
| Molecular Weight | 466.19 g/mol |
| LogP | 2.40644 |
| Topological Polar Surface Area | 100.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.1945 |
| Heavy Atoms | 32 |
| Complexity | 1036.1676 |
Chemical Identifiers
| CAS Number | 195436-86-3 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2S(=O)(=O)N(COCCOC)C3=C(C(=NO3)C)C |
Product Overview
N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide (CAS 195436-86-3), with molecular formula C21H31BN2O7S and molecular weight 466.19 g/mol. IUPAC: N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide.
Chemical Property Profile of N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
Property Insights of N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
The XLogP value of 2.40644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide. The TPSA of 100.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide. Following Lipinski's Rule of Five, N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide has 0 hydrogen bond donor(s) and 8 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-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
The CAS number of N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide is 195436-86-3.
What is the molecular formula of N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
The molecular formula of N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide is C21H31BN2O7S.
What is the molecular weight of N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
The molecular weight of N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide is 466.19 g/mol.
Where can I buy N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
You can request a quote for N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-Dimethylisoxazol-5-yl)-N-((2-methoxyethoxy)methyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.