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CAS 1919853-46-5 PTP1B-IN-2 molecular structure lightbox
CAS RN: 1919853-46-5

PTP1B-IN-2

Product Availability

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12 package records12 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 100mg In stock Inquiry
Batchno.20250228 1mg In stock Inquiry
Batchno.20260101 25mg In stock Inquiry
Batchno.20250915 50mg In stock Inquiry
Batchno.20250428 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 100mg In stock Shanghai Inquiry
Batchno.20250702 10mg In stock Shanghai Inquiry
Batchno.20251017 1mg In stock Shanghai Inquiry
Batchno.20260110 250mg In stock Shanghai Inquiry
Batchno.20251208 25mg In stock Shanghai Inquiry
Batchno.20250811 50mg In stock Shanghai Inquiry
Batchno.20260505 5mg In stock Shanghai Inquiry
  • Product code: SSC-089890
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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 1919853-46-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1919853-46-5 / methyl 5-[benzylsulfonyl-[[4-[(2-methoxy-2-oxoethyl)-methylsulfonylamino]phenyl]methyl]amino]-2-[(4-methylphenyl)methoxy]benzoate

Standard CAS: 1919853-46-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1919853-46-5
Multi CAS
No
Molecular Formula
C34H36N2O9S2
Molecular Weight
680.800000
Exact Mass
680.186223
SMILES
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)N(CC3=CC=C(C=C3)N(CC(=O)OC)S(=O)(=O)C)S(=O)(=O)CC4=CC=CC=C4)C(=O)OC
InChI
InChI=1S/C34H36N2O9S2/c1-25-10-12-27(13-11-25)23-45-32-19-18-30(20-31(32)34(38)44-3)36(47(41,42)24-28-8-6-5-7-9-28)21-26-14-16-29(17-15-26)35(46(4,39)40)22-33(37)43-2/h5-20H,21-24H2,1-4H3
InChIKey
IPNJQCVHNPGYOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.24
Rotatable bonds
14
H-bond acceptors
9
Molar refractivity
179.19
TPSA
136.59

LogP / Solubility

WLOGP
4.84
MLOGP
4.31
XLogP3
4.8
Consensus LogP
4.65
Log S (ESOL)
-6.56
Class (ESOL)
Insoluble
Log S (Ali)
-8.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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