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CAS 448895-37-2 NS1643 molecular structure lightbox
CAS RN: 448895-37-2

NS1643

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250329 100mg Out of stock Inquiry
Batchno.20260412 10mg Out of stock Inquiry
Batchno.20250306 1mg In stock Shanghai Inquiry
Batchno.20250703 25mg In stock Shanghai Inquiry
Batchno.20260407 50mg Out of stock Inquiry
  • Product code: SSC-152801
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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 448895-37-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

448895-37-2 / 1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea

Standard CAS: 448895-37-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
448895-37-2
Multi CAS
No
Molecular Formula
C15F6H10N2O3
Molecular Weight
380.240000
Exact Mass
380.059561
InChI
InChI=1S/C15H10F6N2O3/c16-14(17,18)7-1-3-11(24)9(5-7)22-13(26)23-10-6-8(15(19,20)21)2-4-12(10)25/h1-6,24-25H,(H2,22,23,26)
InChIKey
NJFVQMRYJZHGME-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
4
Molar refractivity
78.86
TPSA
81.59

LogP / Solubility

WLOGP
4.78
MLOGP
4.23
XLogP3
3.5
Consensus LogP
4.17
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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