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CAS 142994-45-4 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(3-pyridyl)-D-alanine molecular structure lightbox
CAS RN: 142994-45-4

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(3-pyridyl)-D-alanine

Product Availability

Choose a grade to view its available package options.

11 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 1g In stock Inquiry
Batchno.20260413 250mg In stock Inquiry
Batchno.20250929 25g In stock Inquiry
Batchno.20250510 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250511 100g Out of stock Inquiry
Batchno.20251024 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250502 1g In stock Shanghai Inquiry
Batchno.20260129 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250823 25g Out of stock Inquiry
Batchno.20260111 500g Out of stock Inquiry
Batchno.20260602 5g Out of stock Inquiry
  • Product code: SSC-054313
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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, 5g, 10g, 25g
  • Available purity: ≥98%
  • 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 142994-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

142994-45-4 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid

Standard CAS: 142994-45-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
142994-45-4
Multi CAS
No
Molecular Formula
C23H20N2O4
Molecular Weight
388.400000
Exact Mass
388.142307
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CN=CC=C4)C(=O)O
InChI
InChI=1S/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m1/s1
InChIKey
JQLPMTXRCLXOJO-OAQYLSRUSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
107.57
TPSA
88.52

LogP / Solubility

WLOGP
3.62
MLOGP
3.2
XLogP3
3.6
Consensus LogP
3.47
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble

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)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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