1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide
TL;DR: 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide (CAS 696636-63-2) is a chemical compound with molecular formula C14H21N3O3S and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide
Also Known As: BAS 14051079, 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide, A3450/0146518, 1,3-diethyl-5-{[(methylethyl)amino]sulfonyl}-3-hydrobenzimidazol-2-one, 1,3-diethyl-N-isopropyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
| Molecular Formula | C14H21N3O3S |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 1.5295 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.13037 |
| Heavy Atoms | 21 |
| Complexity | 815.8372 |
Chemical Identifiers
| CAS Number | 696636-63-2 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)S(=O)(=O)NC(C)C)N(C1=O)CC |
Product Overview
1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide (CAS 696636-63-2), with molecular formula C14H21N3O3S and molecular weight 311.13 g/mol. IUPAC: 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide.
Chemical Property Profile of 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide
Property Insights of 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide
The XLogP value of 1.5295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide. Following Lipinski's Rule of Five, 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide has 1 hydrogen bond donor(s) and 3 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 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide?
The CAS number of 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide is 696636-63-2.
What is the molecular formula of 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide?
The molecular formula of 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide is C14H21N3O3S.
What is the molecular weight of 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide?
The molecular weight of 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide is 311.13 g/mol.
Where can I buy 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide?
You can request a quote for 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-diethyl-2-oxo-N-propan-2-ylbenzimidazole-5-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.