CTK3E9380
TL;DR: CTK3E9380 (CAS 83514-22-1) is a chemical compound with molecular formula C46H55ClN6O9 and molecular weight 870.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;2-[methyl(3-phenylprop-2-enyl)amino]-1-phenylpropan-1-ol;1,3,7-trimethylpurine-2,6-dione;hydrochloride
Also Known As: Aspirin mixture with caffeine, cinnamedrine and phenacetin, 2-acetyloxybenzoic acid; 2-(cinnamyl-methyl-amino)-1-phenyl-propan-1-ol; N-(4-ethoxyphenyl)acetamide; 1,3,7-trimethylpurine-2,6-dione; hydrochloride, 2-acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;2-[methyl(3-phenylprop-2-enyl)amino]-1-phenylpropan-1-ol;1,3,7-trimethylpurine-2,6-dione;hydrochloride
| Molecular Formula | C46H55ClN6O9 |
|---|---|
| Molecular Weight | 870.37 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 870.3719 |
| Heavy Atoms | 62 |
| Complexity | 970.0 |
Chemical Identifiers
| CAS Number | 83514-22-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C.CC(C(C1=CC=CC=C1)O)N(C)CC=CC2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl |
| InChIKey | GXVYKGFDXIZMAF-UHFFFAOYSA-N |
Product Overview
CTK3E9380 (CAS 83514-22-1), with molecular formula C46H55ClN6O9 and molecular weight 870.37 g/mol. IUPAC: 2-acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;2-[methyl(3-phenylprop-2-enyl)amino]-1-phenylpropan-1-ol;1,3,7-trimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of CTK3E9380
Property Insights of CTK3E9380
The XLogP value of 6.5 indicates that CTK3E9380 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.0 Ų indicates high polarity, suggesting CTK3E9380 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3E9380 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3E9380?
The CAS number of CTK3E9380 is 83514-22-1.
What is the molecular formula of CTK3E9380?
The molecular formula of CTK3E9380 is C46H55ClN6O9.
What is the molecular weight of CTK3E9380?
The molecular weight of CTK3E9380 is 870.37 g/mol.
Where can I buy CTK3E9380?
You can request a quote for CTK3E9380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9380?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.