Sinutab
TL;DR: Sinutab (CAS 79191-48-3) is a chemical compound with molecular formula C50H65ClN4O13 and molecular weight 964.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S)-2-amino-1-phenylpropan-1-ol;2-(2-benzylphenoxy)-N,N-dimethylethanamine;N-(4-ethoxyphenyl)acetamide;N-(4-hydroxyphenyl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
Also Known As: Sinutab, Acetaminophen-phenylpropanolamine-phenyltoloxamine, Acetaminophen - phenylpropanolamine - phenyltoloxamine, Acetaminophen, phenylpropanolamine, phenyltoloxamine drug combination, (1R,2S)-2-amino-1-phenyl-propan-1-ol; 2-(2-benzylphenoxy)-N,N-dimethyl-ethanamine; N-(4-ethoxyphenyl)acetamide; N-(4-hydroxyphenyl)acetamide; 2-hydroxypropane-1,2,3-tricarboxylic acid; hydrochloride
| Molecular Formula | C50H65ClN4O13 |
|---|---|
| Molecular Weight | 964.42 g/mol |
| LogP | 6.8526 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Exact Mass | 964.42365 |
| Heavy Atoms | 68 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 79191-48-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C.C[C@@H]([C@@H](C1=CC=CC=C1)O)N.CC(=O)NC1=CC=C(C=C1)O.CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.Cl |
| InChIKey | DMVSDDVSQRPBLI-FBJKDJMMSA-N |
Product Overview
Sinutab (CAS 79191-48-3), with molecular formula C50H65ClN4O13 and molecular weight 964.42 g/mol. IUPAC: (1R,2S)-2-amino-1-phenylpropan-1-ol;2-(2-benzylphenoxy)-N,N-dimethylethanamine;N-(4-ethoxyphenyl)acetamide;N-(4-hydroxyphenyl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride.
Chemical Property Profile of Sinutab
Property Insights of Sinutab
The XLogP value of 6.8526 indicates that Sinutab is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting Sinutab may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sinutab has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sinutab?
The CAS number of Sinutab is 79191-48-3.
What is the molecular formula of Sinutab?
The molecular formula of Sinutab is C50H65ClN4O13.
What is the molecular weight of Sinutab?
The molecular weight of Sinutab is 964.42 g/mol.
Where can I buy Sinutab?
You can request a quote for Sinutab directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sinutab?
Yes, KEHONG BIO provides custom synthesis services for Sinutab and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.