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CAS 20898-43-5 N(ALPHA), N-(IM)-DI-BOC-L-HISTIDINE METHYL ESTER molecular structure lightbox
CAS RN: 20898-43-5

N(ALPHA), N-(IM)-DI-BOC-L-HISTIDINE METHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260607 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-098407
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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: 5g
  • 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 20898-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

20898-43-5 / tert-butyl 4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate

Standard CAS: 20898-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20898-43-5
Multi CAS
No
Molecular Formula
C17H27N3O6
Molecular Weight
369.400000
Exact Mass
369.189986
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C17H27N3O6/c1-16(2,3)25-14(22)19-12(13(21)24-7)8-11-9-20(10-18-11)15(23)26-17(4,5)6/h9-10,12H,8H2,1-7H3,(H,19,22)/t12-/m0/s1
InChIKey
ZYCZFTGHOVFXLZ-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.65
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
92.74
TPSA
108.75

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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