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CAS 2055599-51-2 NTP-42 molecular structure lightbox
CAS RN: 2055599-51-2

NTP-42

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250522 100mg In stock Shanghai Inquiry
Batchno.20260302 10mg In stock Shanghai Inquiry
Batchno.20250722 1mg In stock Shanghai Inquiry
Batchno.20260628 250mg In stock Shanghai Inquiry
Batchno.20251031 25mg In stock Shanghai Inquiry
Batchno.20251213 50mg In stock Shanghai Inquiry
Batchno.20260610 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251023 1mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-096756
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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: 0.1g
  • 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 2055599-51-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

2055599-51-2 / 1-tert-butyl-3-[5-cyano-2-[3-[4-(difluoromethoxy)phenyl]phenoxy]phenyl]sulfonylurea

Standard CAS: 2055599-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055599-51-2
Multi CAS
No
Molecular Formula
C25H23F2N3O5S
Molecular Weight
515.500000
Exact Mass
515.132648
SMILES
CC(C)(C)NC(=O)NS(=O)(=O)C1=C(C=CC(=C1)C#N)OC2=CC=CC(=C2)C3=CC=C(C=C3)OC(F)F
InChI
InChI=1S/C25H23F2N3O5S/c1-25(2,3)29-24(31)30-36(32,33)22-13-16(15-28)7-12-21(22)34-20-6-4-5-18(14-20)17-8-10-19(11-9-17)35-23(26)27/h4-14,23H,1-3H3,(H2,29,30,31)
InChIKey
RIIKDGPBTPECSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
128.35
TPSA
117.52

LogP / Solubility

WLOGP
5.41
MLOGP
4.79
XLogP3
5.3
Consensus LogP
5.17
Log S (ESOL)
-6.35
Class (ESOL)
Insoluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4

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