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CAS 72791-76-5 N-CBZ-N,N-BIS(2-CHLOROETHYL)AMINE molecular structure lightbox
CAS RN: 72791-76-5

N-CBZ-N,N-BIS(2-CHLOROETHYL)AMINE

  • Product code: SSC-182280
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 72791-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 5 In Stock Hong Kong Inquiry
500g >95% 1 In Stock Shenzhen Inquiry

72791-76-5 / benzyl N,N-bis(2-chloroethyl)carbamate

Standard CAS: 72791-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72791-76-5
Multi CAS
No
Molecular Formula
C12H15CL2NO2
Molecular Weight
276.160000
Exact Mass
275.047984
InChI
InChI=1S/C12H15Cl2NO2/c13-6-8-15(9-7-14)12(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
OBBMVFKOKGRDGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
69.64
TPSA
29.54

LogP / Solubility

WLOGP
3.1
MLOGP
2.74
XLogP3
3.4
Consensus LogP
3.08
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

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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