Ruxolitinib
TL;DR: Ruxolitinib (CAS 941678-49-5) is a chemical compound with molecular formula C29H32O6 and molecular weight 476.21988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) benzoate
Also Known As: Ruxolitinib, estriol benzoate diacetate, (3R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile, (16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) benzoate
Technical Specifications
| Molecular Formula | C29H32O6 |
| Molecular Weight | 476.21988 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.21988 Da |
| Heavy Atoms | 35 |
| Complexity | 818.0 |
| SMILES | CC(=O)OC1CC2C3CCC4=C(C3CCC2(C1OC(=O)C)C)C=CC(=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | VQHGRIUWSVCJPX-UHFFFAOYSA-N |
Chemical Property Profile of Ruxolitinib
Property Insights of Ruxolitinib
The XLogP value of 5.4 indicates that Ruxolitinib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ruxolitinib. Following Lipinski's Rule of Five, Ruxolitinib has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ruxolitinib?
The CAS number of Ruxolitinib is 941678-49-5.
What is the molecular formula of Ruxolitinib?
The molecular formula of Ruxolitinib is C29H32O6.
What is the molecular weight of Ruxolitinib?
The molecular weight of Ruxolitinib is 476.21988 g/mol.
Where can I buy Ruxolitinib?
You can request a quote for Ruxolitinib directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ruxolitinib?
Yes, CoreyChem provides custom synthesis services for Ruxolitinib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.