[email protected]
CAS 20898-44-6 τ-Benzyl-Nα-(tert-butoxycarbonyl)-L-histidine molecular structure lightbox
CAS RN: 20898-44-6

τ-Benzyl-Nα-(tert-butoxycarbonyl)-L-histidine

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250825 1g In stock Inquiry
Batchno.20260219 25g Out of stock Inquiry
Batchno.20251123 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250213 1g In stock Shanghai, Shandong Inquiry
Batchno.20260217 200mg In stock Shanghai Inquiry
  • Product code: SSC-098408
GET A QUOTE
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
Request Bulk Quote

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 20898-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

20898-44-6 / (2S)-3-(1-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 20898-44-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20898-44-6
Multi CAS
No
Molecular Formula
C18H23N3O4
Molecular Weight
345.400000
Exact Mass
345.168856
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-15(16(22)23)9-14-11-21(12-19-14)10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,24)(H,22,23)/t15-/m0/s1
InChIKey
OUHPNBGKEMHUCQ-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
92.27
TPSA
93.45

LogP / Solubility

WLOGP
2.45
MLOGP
2.18
XLogP3
2.2
Consensus LogP
2.28
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us