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CAS 540737-29-9 Tofacitinib citrate molecular structure lightbox
CAS RN: 540737-29-9

Tofacitinib citrate

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250928 1ml In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250709 10mg In stock Inquiry
Batchno.20251221 1g In stock Inquiry
Batchno.20250725 250mg In stock Inquiry
Batchno.20250627 50mg In stock Inquiry
Batchno.20260109 5g In stock Inquiry
  • Product code: SSC-161604
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 540737-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 1 In Stock Shanghai Inquiry
0.1g ≥98% 0 Out of Stock Shenzhen Inquiry
0.25g ≥98% 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry

540737-29-9 / 2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

Standard CAS: 540737-29-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
540737-29-9
Multi CAS
Yes
Molecular Formula
C22H28N6O8
Molecular Weight
504.500000
Exact Mass
504.196862
InChI
InChI=1S/C16H20N6O.C6H8O7/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13+;/m1./s1
InChIKey
SYIKUFDOYJFGBQ-YLAFAASESA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
5
Molar refractivity
123.76
TPSA
221.04

LogP / Solubility

WLOGP
0.3
MLOGP
0.3
XLogP3
0.3
Consensus LogP
0.3
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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)
-5.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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