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CAS 50654-94-9 (tert-Butoxycarbonyl)-D-histidine molecular structure lightbox
CAS RN: 50654-94-9

(tert-Butoxycarbonyl)-D-histidine

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 1g In stock Inquiry
Batchno.20250508 250mg In stock Inquiry
Batchno.20260125 25g In stock Inquiry
Batchno.20251115 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-157269
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 50654-94-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 1 In Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

50654-94-9 / 3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 50654-94-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50654-94-9
Multi CAS
Yes
Molecular Formula
C11H17N3O4
Molecular Weight
255.270000
Exact Mass
255.121906
InChI
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
InChIKey
AYMLQYFMYHISQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
63.09
TPSA
104.31

LogP / Solubility

WLOGP
0.93
MLOGP
0.83
XLogP3
0.7
Consensus LogP
0.82
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.62

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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