[email protected]
CAS 58620-93-2 β-Alanine tert-Butyl Ester Hydrochloride molecular structure lightbox
CAS RN: 58620-93-2

β-Alanine tert-Butyl Ester Hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251108 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-166912
GET A QUOTE
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
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 58620-93-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

58620-93-2 / tert-butyl 3-aminopropanoate;hydrochloride

Standard CAS: 58620-93-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58620-93-2
Multi CAS
No
Molecular Formula
C7H16CLNO2
Molecular Weight
181.660000
Exact Mass
181.086956
InChI
InChI=1S/C7H15NO2.ClH/c1-7(2,3)10-6(9)4-5-8;/h4-5,8H2,1-3H3;1H
InChIKey
DOMTZTVJNZKUNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.76
TPSA
52.32

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
1.1
Consensus LogP
1.05
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us