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CAS 1025796-31-9 (S)-Di-Tert-Butyl 2-(3-((S)-6-Amino-1-(Tert-Butoxy)-1-Oxohexan-2-Yl)Ureido)Pentanedioate molecular structure lightbox
CAS RN: 1025796-31-9

(S)-Di-Tert-Butyl 2-(3-((S)-6-Amino-1-(Tert-Butoxy)-1-Oxohexan-2-Yl)Ureido)Pentanedioate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250322 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250714 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260219 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250413 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-003854
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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: 0.1g, 0.25g, 1g, 10g, 5g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1025796-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Beijing Inquiry

1025796-31-9 / ditert-butyl (2S)-2-[[(2S)-6-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate

1,5-Bis(1,1-dimethylethyl) N-[[[(1S)-5-amino-1-[(1,1-dimethylethoxy)carbonyl]pentyl]amino]carbonyl]-L-glutamate | 1,5-Bis(1,1-dimethylethyl) N-((((1S)-5-amino-1-((1,1-dimethylethoxy)carbonyl)pentyl)amino)carbonyl)-L-glutamate | RefChem:221178

Standard CAS: 1025796-31-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1025796-31-9
Multi CAS
Yes
Molecular Formula
C24H45N3O7
Molecular Weight
487.600000
Exact Mass
487.325751
SMILES
CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C
InChI
InChI=1S/C24H45N3O7/c1-22(2,3)32-18(28)14-13-17(20(30)34-24(7,8)9)27-21(31)26-16(12-10-11-15-25)19(29)33-23(4,5)6/h16-17H,10-15,25H2,1-9H3,(H2,26,27,31)/t16-,17-/m0/s1
InChIKey
IXWXFSGSTGXUFO-IRXDYDNUSA-N
Synonyms
1,5-Bis(1,1-dimethylethyl) N-[[[(1S)-5-amino-1-[(1,1-dimethylethoxy)carbonyl]pentyl]amino]carbonyl]-L-glutamate 1,5-Bis(1,1-dimethylethyl) N-((((1S)-5-amino-1-((1,1-dimethylethoxy)carbonyl)pentyl)amino)carbonyl)-L-glutamate RefChem:221178 (S)-di-tert-butyl 2-(3-((S)-6-amino-1-(tert-butoxy)-1-oxohexan-2-yl)ureido)pentanedioate tert-Butyl-DCL

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.83
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
3
Molar refractivity
128.92
TPSA
146.05

LogP / Solubility

WLOGP
2.96
MLOGP
2.64
XLogP3
2.5
Consensus LogP
2.7
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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