Cangrelor
TL;DR: Cangrelor (CAS 163706-06-7) is a chemical compound with molecular formula C17H25Cl2F3N5O12P3S2 and molecular weight 774.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
Also Known As: Cangrelor, Kengreal, kengrexal, canegrelor, cangrelorum
| Molecular Formula | C17H25Cl2F3N5O12P3S2 |
|---|---|
| Molecular Weight | 774.95 g/mol |
| LogP | 2.8505 |
| Topological Polar Surface Area | 255.91 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 774.9483 |
| Heavy Atoms | 44 |
| Complexity | 1473.5747 |
Chemical Identifiers
| CAS Number | 163706-06-7 |
|---|---|
| SMILES | CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O |
Product Overview
Cangrelor (CAS 163706-06-7), with molecular formula C17H25Cl2F3N5O12P3S2 and molecular weight 774.95 g/mol. IUPAC: [dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid.
Chemical Property Profile of Cangrelor
Property Insights of Cangrelor
The XLogP value of 2.8505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cangrelor. The TPSA of 255.91 Ų indicates high polarity, suggesting Cangrelor may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cangrelor has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cangrelor?
The CAS number of Cangrelor is 163706-06-7.
What is the molecular formula of Cangrelor?
The molecular formula of Cangrelor is C17H25Cl2F3N5O12P3S2.
What is the molecular weight of Cangrelor?
The molecular weight of Cangrelor is 774.95 g/mol.
Where can I buy Cangrelor?
You can request a quote for Cangrelor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cangrelor?
Yes, KEHONG BIO provides custom synthesis services for Cangrelor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.