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CAS 117142-26-4 N-(tert-Butoxycarbonyl)-3-(3-pyridyl)-L-alanine molecular structure lightbox
CAS RN: 117142-26-4

N-(tert-Butoxycarbonyl)-3-(3-pyridyl)-L-alanine

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250824 1g In stock Inquiry
Batchno.20250411 250mg In stock Inquiry
Batchno.20260503 25g In stock Inquiry
Batchno.20260603 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260226 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-016989
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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: 0.25g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 1
  • 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 117142-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 1 In Stock Hong Kong Inquiry
5g >98% 0 Out of Stock Shanghai Inquiry

117142-26-4 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid

Boc-3-(2-pyridyl)-Ala-OH | RefChem:569746 | 623-722-3

Standard CAS: 117142-26-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117142-26-4
Multi CAS
Yes
Molecular Formula
C13H18N2O4
Molecular Weight
266.290000
Exact Mass
266.126657
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN=CC=C1)C(=O)O
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)7-9-5-4-6-14-8-9/h4-6,8,10H,7H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKey
JLBCSWWZSSVXRQ-JTQLQIEISA-N
Synonyms
Boc-3-(2-pyridyl)-Ala-OH RefChem:569746 623-722-3 Boc-L-2-Pyridylalanine Boc-3-(2-pyridyl)-L-alanine

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.73
TPSA
88.52

LogP / Solubility

WLOGP
1.6
MLOGP
1.42
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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 (97.6%): 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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