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CAS 1092939-17-7 Ruxolitinib phosphate molecular structure lightbox
CAS RN: 1092939-17-7

Ruxolitinib phosphate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260501 10mg / 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-010531
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1092939-17-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1092939-17-7 / (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;phosphoric acid

Ruxolitinib phosphate | Jakafi | INCB-018424 phosphate

Standard CAS: 1092939-17-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1092939-17-7
Multi CAS
Yes
Molecular Formula
C17H21N6O4P
Molecular Weight
404.400000
Exact Mass
404.136190
SMILES
C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3.OP(=O)(O)O
InChI
InChI=1S/C17H18N6.H3O4P/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m1./s1
InChIKey
JFMWPOCYMYGEDM-XFULWGLBSA-N
Synonyms
Ruxolitinib phosphate Jakafi INCB-018424 phosphate ruxolitinib monophosphate INCB018424 PHOSPHATE

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
14
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
100.6
TPSA
160.94

LogP / Solubility

WLOGP
2.54
MLOGP
2.26
XLogP3
2.54
Consensus LogP
2.45
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H361 (66.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H373 (66.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P264, P270, P273, P280, P301+P316, P301+P317, P318, P319, P321, P330, P405, and P501

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