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CAS 1187595-84-1 Baricitinib phosphate salt molecular structure lightbox
CAS RN: 1187595-84-1

Baricitinib phosphate salt

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260324 100mg In stock Shanghai Inquiry
Batchno.20250629 100mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250503 10mg In stock Shanghai Inquiry
Batchno.20250216 1mg In stock Shanghai Inquiry
Batchno.20260401 250mg In stock Shanghai Inquiry
Batchno.20250109 2mg In stock Shanghai Inquiry
Batchno.20260330 5mg In stock Shanghai Inquiry
  • Product code: SSC-018715
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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: 0.25g
  • 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 1187595-84-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1187595-84-1 / 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;phosphoric acid

Baricitinib phosphate | Baricitinib phosphate salt | INCB-28050

Standard CAS: 1187595-84-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1187595-84-1
Multi CAS
Yes
Molecular Formula
C16H20N7O6PS
Molecular Weight
469.400000
Exact Mass
469.093340
SMILES
CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3.OP(=O)(O)O
InChI
InChI=1S/C16H17N7O2S.H3O4P/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14;1-5(2,3)4/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20);(H3,1,2,3,4)
InChIKey
FBPOWTFFUBBKBB-UHFFFAOYSA-N
Synonyms
Baricitinib phosphate Baricitinib phosphate salt INCB-28050 XIB47S8NNB 3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)-, phosphate (1:1)

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
14
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
108.61
TPSA
198.32

LogP / Solubility

WLOGP
0.17
MLOGP
0.18
XLogP3
0.17
Consensus LogP
0.17
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.46

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H360FD (100%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity] H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P261, P264, P270, P271, P280, P304+P340, P318, P319, P403+P233, P405, and P501

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