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CAS 103365-47-5 (S)-N-Boc-3-Amino-3-phenylpropanoic acid molecular structure lightbox
CAS RN: 103365-47-5

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

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250311 1g In stock Inquiry
Batchno.20250314 250mg In stock Inquiry
Batchno.20250116 5g In stock Inquiry
  • Product code: SSC-004846
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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
  • Available purity: ≥97%
  • 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 103365-47-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

103365-47-5 / (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid

(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid | (3S)-3-(((tert-butoxy)carbonyl)amino)-3-phenylpropanoic acid | RefChem:401262

Standard CAS: 103365-47-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103365-47-5
Multi CAS
Yes
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-/m0/s1
InChIKey
JTNQFJPZRTURSI-NSHDSACASA-N
Synonyms
(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid (3S)-3-(((tert-butoxy)carbonyl)amino)-3-phenylpropanoic acid RefChem:401262 973-295-5 (S)-N-Boc-3-Amino-3-phenylpropanoic acid

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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