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CAS 2061897-68-3 (Tert-Butoxy)Carbonyl L-His(Trt)-Aib-OH molecular structure lightbox
CAS RN: 2061897-68-3

(Tert-Butoxy)Carbonyl L-His(Trt)-Aib-OH

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251130 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-097198
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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: 5g, 1g, 10g, 25g, 100g
  • Available purity: >97%
  • 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 2061897-68-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

2061897-68-3 / 2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]propanoic acid

Standard CAS: 2061897-68-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2061897-68-3
Multi CAS
No
Molecular Formula
C34H38N4O5
Molecular Weight
582.700000
Exact Mass
582.284220
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC(C)(C)C(=O)O
InChI
InChI=1S/C34H38N4O5/c1-32(2,3)43-31(42)36-28(29(39)37-33(4,5)30(40)41)21-27-22-38(23-35-27)34(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,22-23,28H,21H2,1-5H3,(H,36,42)(H,37,39)(H,40,41)/t28-/m0/s1
InChIKey
POZCMPSLNOUKQN-NDEPHWFRSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
23
Fraction Csp3
0.29
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
3
Molar refractivity
163.55
TPSA
122.55

LogP / Solubility

WLOGP
5.14
MLOGP
4.57
XLogP3
5.4
Consensus LogP
5.04
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-8.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.91
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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