替格瑞洛
TL;DR: 替格瑞洛 (CAS 274693-27-5) is a chemical compound with molecular formula C23H28F2N6O4S and molecular weight 522.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
替格瑞洛
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Also Known As: Ticagrelor, Brilinta, Brilique, Possia, ticagrelorum
| Molecular Formula | C23H28F2N6O4S |
|---|---|
| Molecular Weight | 522.19 g/mol |
| LogP | 2.0137 |
| Topological Polar Surface Area | 138.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 522.1861 |
| Heavy Atoms | 36 |
| Complexity | 1232.7772 |
Chemical Identifiers
| CAS Number | 274693-27-5 |
|---|---|
| SMILES | CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F |
Product Overview
替格瑞洛 (CAS 274693-27-5), with molecular formula C23H28F2N6O4S and molecular weight 522.19 g/mol. IUPAC: (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol.
Chemical Property Profile of 替格瑞洛
Property Insights of 替格瑞洛
The XLogP value of 2.0137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 替格瑞洛. The TPSA of 138.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 替格瑞洛. Following Lipinski's Rule of Five, 替格瑞洛 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 替格瑞洛?
The CAS number of 替格瑞洛 is 274693-27-5.
What is the molecular formula of 替格瑞洛?
The molecular formula of 替格瑞洛 is C23H28F2N6O4S.
What is the molecular weight of 替格瑞洛?
The molecular weight of 替格瑞洛 is 522.19 g/mol.
Where can I buy 替格瑞洛?
You can request a quote for 替格瑞洛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 替格瑞洛?
Yes, KEHONG BIO provides custom synthesis services for 替格瑞洛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.