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CAS 25441-40-1 Acetic acid, chloro-, 2-carboxyhydrazide tert-butyl ester (8CI) molecular structure lightbox
CAS RN: 25441-40-1

Acetic acid, chloro-, 2-carboxyhydrazide tert-butyl ester (8CI)

  • Product code: SSC-121390
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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 25441-40-1
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 Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Shenzhen Inquiry

25441-40-1 / tert-butyl N-[(2-chloroacetyl)amino]carbamate

Standard CAS: 25441-40-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25441-40-1
Multi CAS
No
Molecular Formula
C7H13ClN2O3
Molecular Weight
208.640000
Exact Mass
208.061470
SMILES
CC(C)(C)OC(=O)NNC(=O)CCl
InChI
InChI=1S/C7H13ClN2O3/c1-7(2,3)13-6(12)10-9-5(11)4-8/h4H2,1-3H3,(H,9,11)(H,10,12)
InChIKey
PBJQOXCHVJUDIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.23
TPSA
67.43

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
1.1
Consensus LogP
0.86
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.44

Drug-likeness / Medicinal Chemistry

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

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