Spalt-tablette
TL;DR: Spalt-tablette (CAS 79173-13-0) is a chemical compound with molecular formula C48H49N7O11 and molecular weight 899.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-hydroxy-2-phenylacetate;1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzamide;2-hydroxybenzoic acid;1,3,7-trimethylpurine-2,6-dione
Also Known As: Spalt-tablette, 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, mono(2- hydroxybenzoate), mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, 2-hydroxybenzamide, and phenylmethyl alpha-hydroxybenzeneacetate, Benzeneacetic acid, alpha-hydroxy-, phenylmethyl ester, mixt. with 1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one mono(2-hydroxybenzoate), 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and 2-hydroxybenzamide, 8-[2-(4-hydroxy-6-oxotetrahydro-2h-pyran-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate, benzyl 2-hydroxy-2-phenyl-acetate; 1,5-dimethyl-2-phenyl-pyrazol-3-one; 2-hydroxybenzamide; 2-hydroxybenzoic acid; 1,3,7-trimethylpurine-2,6-dione
| Molecular Formula | C48H49N7O11 |
|---|---|
| Molecular Weight | 899.35 g/mol |
| LogP | 4.50002 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 899.349 |
| Heavy Atoms | 66 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 79173-13-0 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C)C2=CC=CC=C2.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O.C1=CC=C(C(=C1)C(=O)N)O.C1=CC=C(C(=C1)C(=O)O)O |
| InChIKey | DJDJENWTKLLCFK-UHFFFAOYSA-N |
Product Overview
Spalt-tablette (CAS 79173-13-0), with molecular formula C48H49N7O11 and molecular weight 899.35 g/mol. IUPAC: benzyl 2-hydroxy-2-phenylacetate;1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxybenzamide;2-hydroxybenzoic acid;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Spalt-tablette
Property Insights of Spalt-tablette
The XLogP value of 4.50002 indicates that Spalt-tablette is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 249.0 Ų indicates high polarity, suggesting Spalt-tablette may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spalt-tablette has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spalt-tablette?
The CAS number of Spalt-tablette is 79173-13-0.
What is the molecular formula of Spalt-tablette?
The molecular formula of Spalt-tablette is C48H49N7O11.
What is the molecular weight of Spalt-tablette?
The molecular weight of Spalt-tablette is 899.35 g/mol.
Where can I buy Spalt-tablette?
You can request a quote for Spalt-tablette directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spalt-tablette?
Yes, KEHONG BIO provides custom synthesis services for Spalt-tablette and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.