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CAS 959579-81-8 (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2,4,5-trifluorophenyl)propanoic acid molecular structure lightbox
CAS RN: 959579-81-8

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2,4,5-trifluorophenyl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-211688
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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: 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 959579-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

959579-81-8 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2,4,5-trifluorophenyl)propanoic acid

Standard CAS: 959579-81-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
959579-81-8
Multi CAS
Yes
Molecular Formula
C24F3H18NO4
Molecular Weight
441.400000
Exact Mass
441.118793
InChI
InChI=1S/C24H18F3NO4/c25-19-11-21(27)20(26)9-13(19)10-22(23(29)30)28-24(31)32-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-9,11,18,22H,10,12H2,(H,28,31)(H,29,30)/t22-/m0/s1
InChIKey
YAHKXQSXDLBLDX-QFIPXVFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
109.65
TPSA
75.63

LogP / Solubility

WLOGP
4.64
MLOGP
4.11
XLogP3
4.9
Consensus LogP
4.55
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

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
3.5

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