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CAS 138797-71-4 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-tert-butyl-D-threonine molecular structure lightbox
CAS RN: 138797-71-4

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-tert-butyl-D-threonine

Product Availability

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6 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 10g Out of stock Inquiry
Batchno.20250606 1g In stock Inquiry
Batchno.20260125 25g In stock Inquiry
Batchno.20250619 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260607 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260210 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-048719
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 25g, 10g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 138797-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
10g >97% 4 In Stock Beijing Inquiry
100g >97% 2 In Stock Shenzhen Inquiry

138797-71-4 / (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid

Standard CAS: 138797-71-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
138797-71-4
Multi CAS
No
Molecular Formula
C23H27NO5
Molecular Weight
397.500000
Exact Mass
397.188923
SMILES
C[C@@H]([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C
InChI
InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)/t14-,20+/m0/s1
InChIKey
LZOLWEQBVPVDPR-VBKZILBWSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
109.93
TPSA
84.86

LogP / Solubility

WLOGP
4.18
MLOGP
3.7
XLogP3
4
Consensus LogP
3.96
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
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)
-2.18

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] H412 (66.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, 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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