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CAS 66027-87-0 dodecyl diethylsulphamate molecular structure lightbox
CAS RN: 66027-87-0

dodecyl diethylsulphamate

  • Product code: SSC-175656
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 66027-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

66027-87-0 / dodecyl N,N-diethylsulfamate

Standard CAS: 66027-87-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66027-87-0
Multi CAS
Yes
Molecular Formula
C16H35NO3S
Molecular Weight
321.500000
Exact Mass
321.233765
InChI
InChI=1S/C16H35NO3S/c1-4-7-8-9-10-11-12-13-14-15-16-20-21(18,19)17(5-2)6-3/h4-16H2,1-3H3
InChIKey
GLYIJLJVXUQVSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
3
Molar refractivity
89.64
TPSA
46.61

LogP / Solubility

WLOGP
4.51
MLOGP
3.98
XLogP3
5.9
Consensus LogP
4.8
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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