Secradex
TL;DR: Secradex (CAS 95646-61-0) is a chemical compound with molecular formula C25H36ClN5O8S2 and molecular weight 633.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide;6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: Secradex, Acebutolol mixture with hydrochlorothiazide, Butanamide, N-(3-acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (+-)-, mixt. with 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide;6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide, Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, mixt. with 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
| Molecular Formula | C25H36ClN5O8S2 |
|---|---|
| Molecular Weight | 633.17 g/mol |
| LogP | 2.0142 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 633.1694 |
| Heavy Atoms | 41 |
| Complexity | 895.0 |
Chemical Identifiers
| CAS Number | 95646-61-0 |
|---|---|
| SMILES | CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl |
| InChIKey | YYTCAHJLZIIVRC-UHFFFAOYSA-N |
Product Overview
Secradex (CAS 95646-61-0), with molecular formula C25H36ClN5O8S2 and molecular weight 633.17 g/mol. IUPAC: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide;6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
Chemical Property Profile of Secradex
Property Insights of Secradex
The XLogP value of 2.0142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Secradex. The TPSA of 223.0 Ų indicates high polarity, suggesting Secradex may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Secradex has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Secradex?
The CAS number of Secradex is 95646-61-0.
What is the molecular formula of Secradex?
The molecular formula of Secradex is C25H36ClN5O8S2.
What is the molecular weight of Secradex?
The molecular weight of Secradex is 633.17 g/mol.
Where can I buy Secradex?
You can request a quote for Secradex directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secradex?
Yes, KEHONG BIO provides custom synthesis services for Secradex and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.