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CAS 161024-80-2 (R)-N-Boc-3-Amino-3-phenylpropanoic acid molecular structure lightbox
CAS RN: 161024-80-2

(R)-N-Boc-3-Amino-3-phenylpropanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250628 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-068779
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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, 0.25g, 5g, 10g, 0.1g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • 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 161024-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
0.25g ≥97% 3 In Stock Beijing Inquiry
5g ≥97% 2 In Stock Beijing Inquiry
10g ≥97% 2 In Stock Beijing Inquiry
0.1g ≥97% 1 In Stock Beijing Inquiry
25g ≥97% 1 In Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

161024-80-2 / (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid

Standard CAS: 161024-80-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
161024-80-2
Multi CAS
No
Molecular Formula
C14H19NO4
Molecular Weight
265.300000
Exact Mass
265.131408
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1=CC=CC=C1
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKey
JTNQFJPZRTURSI-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.81
TPSA
75.63

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2
Consensus LogP
2.38
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

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 (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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