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CAS 130316-46-0 L-HoMophenylalanine tert-Butyl Ester Hydrochloride molecular structure lightbox
CAS RN: 130316-46-0

L-HoMophenylalanine tert-Butyl Ester Hydrochloride

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-036940
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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, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 130316-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry

130316-46-0 / tert-butyl (2S)-2-amino-4-phenylbutanoate;hydrochloride

Standard CAS: 130316-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130316-46-0
Multi CAS
No
Molecular Formula
C14H22ClNO2
Molecular Weight
271.780000
Exact Mass
271.133907
SMILES
CC(C)(C)OC(=O)[C@H](CCC1=CC=CC=C1)N.Cl
InChI
InChI=1S/C14H21NO2.ClH/c1-14(2,3)17-13(16)12(15)10-9-11-7-5-4-6-8-11;/h4-8,12H,9-10,15H2,1-3H3;1H/t12-;/m0./s1
InChIKey
ZBJGZYBRHPJMEG-YDALLXLXSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.83
TPSA
52.32

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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)
-2.45

Drug-likeness / Medicinal Chemistry

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

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