Thomapyrin
TL;DR: Thomapyrin (CAS 8003-03-0) is a chemical compound with molecular formula C27H31N5O8 and molecular weight 553.22 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;1,3,7-trimethylpurine-2,6-dione
Also Known As: Thomapyrin, Bex powder, Ascophen, Askophen, Citramon
| Molecular Formula | C27H31N5O8 |
|---|---|
| Molecular Weight | 553.22 g/mol |
| LogP | 2.32 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 553.2173 |
| Heavy Atoms | 40 |
| Complexity | 667.0 |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 8003-03-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C.CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | PITMOJXAHYPVLG-UHFFFAOYSA-N |
Product Overview
Thomapyrin (CAS 8003-03-0), with molecular formula C27H31N5O8 and molecular weight 553.22 g/mol. IUPAC: 2-acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Thomapyrin
Property Insights of Thomapyrin
The XLogP value of 2.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thomapyrin. The TPSA of 160.0 Ų indicates high polarity, suggesting Thomapyrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thomapyrin has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thomapyrin?
The CAS number of Thomapyrin is 8003-03-0.
What is the molecular formula of Thomapyrin?
The molecular formula of Thomapyrin is C27H31N5O8.
What is the molecular weight of Thomapyrin?
The molecular weight of Thomapyrin is 553.22 g/mol.
Where can I buy Thomapyrin?
You can request a quote for Thomapyrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thomapyrin?
Yes, KEHONG BIO provides custom synthesis services for Thomapyrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.