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CAS 5458-99-1 3-[(2-HYDROXYETHYL)AMINO]PROPANOIC ACID molecular structure lightbox
CAS RN: 5458-99-1

3-[(2-HYDROXYETHYL)AMINO]PROPANOIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-162300
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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: 0.25g
  • Available purity: ≥95%
  • 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 5458-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

5458-99-1 / 3-(2-hydroxyethylamino)propanoic acid

Standard CAS: 5458-99-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5458-99-1
Multi CAS
Yes
Molecular Formula
C5H11NO3
Molecular Weight
133.150000
Exact Mass
133.073893
InChI
InChI=1S/C5H11NO3/c7-4-3-6-2-1-5(8)9/h6-7H,1-4H2,(H,8,9)
InChIKey
PPDDDJFBMYJHBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.21
TPSA
69.56

LogP / Solubility

WLOGP
-0.96
MLOGP
-0.85
XLogP3
-3.7
Consensus LogP
-1.84
Log S (ESOL)
0.27
Class (ESOL)
Highly soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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