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CAS 162558-25-0 (S)-3-(tert-Butoxycarbonylamino)-2-[(9H-fluoren-9-ylmethoxy)carbonylamino]propionic Acid molecular structure lightbox
CAS RN: 162558-25-0

(S)-3-(tert-Butoxycarbonylamino)-2-[(9H-fluoren-9-ylmethoxy)carbonylamino]propionic Acid

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260406 100g In stock Inquiry
Batchno.20251231 1g In stock Inquiry
Batchno.20251104 250mg In stock Inquiry
Batchno.20250325 25g In stock Inquiry
Batchno.20251223 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260414 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-070007
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 162558-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
100g >97% 5 In Stock Beijing Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry

162558-25-0 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 162558-25-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
162558-25-0
Multi CAS
No
Molecular Formula
C23H26N2O6
Molecular Weight
426.500000
Exact Mass
426.179087
SMILES
CC(C)(C)OC(=O)NC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H26N2O6/c1-23(2,3)31-21(28)24-12-19(20(26)27)25-22(29)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/t19-/m0/s1
InChIKey
PKAUMAVONPSDRW-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
113.87
TPSA
113.96

LogP / Solubility

WLOGP
3.5
MLOGP
3.11
XLogP3
3.4
Consensus LogP
3.34
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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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