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CAS 98708-80-6 DL-4-Tert-butylphenylalanine molecular structure lightbox
CAS RN: 98708-80-6

DL-4-Tert-butylphenylalanine

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251222 100mg In stock Shanghai Inquiry
Batchno.20251116 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250919 1g Out of stock Inquiry
Batchno.20260106 250mg In stock Shanghai Inquiry
Batchno.20251126 5g Out of stock Inquiry
  • Product code: SSC-212807
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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
  • 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 98708-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

98708-80-6 / 2-amino-3-(4-tert-butylphenyl)propanoic acid

Standard CAS: 98708-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98708-80-6
Multi CAS
No
Molecular Formula
C13H19NO2
Molecular Weight
221.290000
Exact Mass
221.141579
InChI
InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)
InChIKey
CSJZKSXYLTYFPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.46
TPSA
63.32

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
0.2
Consensus LogP
1.28
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.69

Drug-likeness / Medicinal Chemistry

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

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