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CAS 82803-55-2 Dimethyl 3-[(tert-butoxycarbonyl)amino]pentanedioate molecular structure lightbox
CAS RN: 82803-55-2

Dimethyl 3-[(tert-butoxycarbonyl)amino]pentanedioate

  • Product code: SSC-190854
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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, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 82803-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Beijing Inquiry

82803-55-2 / dimethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Standard CAS: 82803-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82803-55-2
Multi CAS
No
Molecular Formula
C12H21NO6
Molecular Weight
275.300000
Exact Mass
275.136887
InChI
InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)13-8(6-9(14)17-4)7-10(15)18-5/h8H,6-7H2,1-5H3,(H,13,16)
InChIKey
LNVSVQDYUJMTGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
66.42
TPSA
90.93

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
0.6
Consensus LogP
0.83
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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