Ximelagatran
TL;DR: Ximelagatran (CAS 1027842-43-8) is a chemical compound with molecular formula C24H35N5O5 and molecular weight 473.26382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(E)-(hydroxyhydrazinylidene)methyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetate
Also Known As: Ximelagatran, Ximelagatran; H 376/95, Ethyl ((R)-1-cyclohexyl-2-((S)-2-((4-(N-hydroxycarbamimidoyl)benzyl)carbamoyl)azetidin-1-yl)-2-oxoethyl)glycinate
Technical Specifications
| Molecular Formula | C24H35N5O5 |
| Molecular Weight | 473.26382 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 473.26382 Da |
| Heavy Atoms | 34 |
| Complexity | 704.0 |
| SMILES | CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)/C=N/NO |
| InChIKey | PMOVWDINZOACJB-ILZRESODSA-N |
Chemical Property Profile of Ximelagatran
Property Insights of Ximelagatran
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ximelagatran. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ximelagatran. Following Lipinski's Rule of Five, Ximelagatran has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ximelagatran?
The CAS number of Ximelagatran is 1027842-43-8.
What is the molecular formula of Ximelagatran?
The molecular formula of Ximelagatran is C24H35N5O5.
What is the molecular weight of Ximelagatran?
The molecular weight of Ximelagatran is 473.26382 g/mol.
Where can I buy Ximelagatran?
You can request a quote for Ximelagatran directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ximelagatran?
Yes, CoreyChem provides custom synthesis services for Ximelagatran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.