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CAS 619333-95-8 tert-Butyl [Bis(4-methoxyphenyl)phosphinyloxy]carbamate molecular structure lightbox
CAS RN: 619333-95-8

tert-Butyl [Bis(4-methoxyphenyl)phosphinyloxy]carbamate

  • Product code: SSC-170942
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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 619333-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

619333-95-8 / tert-butyl N-bis(4-methoxyphenyl)phosphoryloxycarbamate

Standard CAS: 619333-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
619333-95-8
Multi CAS
No
Molecular Formula
C19H24NO6P
Molecular Weight
393.400000
Exact Mass
393.134124
InChI
InChI=1S/C19H24NO6P/c1-19(2,3)25-18(21)20-26-27(22,16-10-6-14(23-4)7-11-16)17-12-8-15(24-5)9-13-17/h6-13H,1-5H3,(H,20,21)
InChIKey
BNMBQDIFMJFRAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
103.32
TPSA
83.09

LogP / Solubility

WLOGP
3.39
MLOGP
3.01
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

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

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