Prestim
TL;DR: Prestim (CAS 74335-22-1) is a chemical compound with molecular formula C32H40F3N7O11S3-2 and molecular weight 851.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;(Z)-but-2-enedioate;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
Also Known As: Prestim, Bendroflumethiazide / timolol maleate, Bendroflumethiazide mixture with timolol maleate, 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-3-(phenylmethyl)-6-(trifluoromethyl)-, 1,1-dioxide, mixt. with (S)-1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol, (Z)-2-butenedioate
| Molecular Formula | C32H40F3N7O11S3-2 |
|---|---|
| Molecular Weight | 851.19 g/mol |
| LogP | -0.8297 |
| Topological Polar Surface Area | 278.36 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 851.19 |
| Heavy Atoms | 56 |
| Complexity | 2023.6702 |
Chemical Identifiers
| CAS Number | 74335-22-1 |
|---|---|
| SMILES | CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.C1=CC=C(C=C1)CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2.C(=C\C(=O)[O-])\C(=O)[O-] |
Product Overview
Prestim (CAS 74335-22-1), with molecular formula C32H40F3N7O11S3-2 and molecular weight 851.19 g/mol. IUPAC: 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;(Z)-but-2-enedioate;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol.
Chemical Property Profile of Prestim
Property Insights of Prestim
The XLogP value of -0.8297 indicates that Prestim is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 278.36 Ų indicates high polarity, suggesting Prestim may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prestim has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prestim?
The CAS number of Prestim is 74335-22-1.
What is the molecular formula of Prestim?
The molecular formula of Prestim is C32H40F3N7O11S3-2.
What is the molecular weight of Prestim?
The molecular weight of Prestim is 851.19 g/mol.
Where can I buy Prestim?
You can request a quote for Prestim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prestim?
Yes, KEHONG BIO provides custom synthesis services for Prestim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.