Asasantin
TL;DR: Asasantin (CAS 87653-67-6) is a chemical compound with molecular formula C33H48N8O8 and molecular weight 684.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxybenzoic acid;2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
Also Known As: Aggrenox, Asasantin, Asasantin Retard, Retard, Asasantin, Aspirin / Dipyridamole
| Molecular Formula | C33H48N8O8 |
|---|---|
| Molecular Weight | 684.36 g/mol |
| LogP | 1.2925 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 684.3595 |
| Heavy Atoms | 49 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 87653-67-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)O.C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO |
| InChIKey | NOHUXXDTQJPXSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Asasantin (CAS 87653-67-6), with molecular formula C33H48N8O8 and molecular weight 684.36 g/mol. IUPAC: 2-acetyloxybenzoic acid;2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of Asasantin
Property Insights of Asasantin
The XLogP value of 1.2925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asasantin. The TPSA of 209.0 Ų indicates high polarity, suggesting Asasantin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Asasantin has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asasantin?
The CAS number of Asasantin is 87653-67-6.
What is the molecular formula of Asasantin?
The molecular formula of Asasantin is C33H48N8O8.
What is the molecular weight of Asasantin?
The molecular weight of Asasantin is 684.36 g/mol.
Where can I buy Asasantin?
You can request a quote for Asasantin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asasantin?
Yes, KEHONG BIO provides custom synthesis services for Asasantin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.