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CAS 63075-66-1 DIETHYL-4-BROMOBUTANEPHOSPHONIC ACID molecular structure lightbox
CAS RN: 63075-66-1

DIETHYL-4-BROMOBUTANEPHOSPHONIC ACID

  • Product code: SSC-172612
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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 63075-66-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

63075-66-1 / 1-bromo-4-diethoxyphosphorylbutane

Standard CAS: 63075-66-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63075-66-1
Multi CAS
Yes
Molecular Formula
C8H18BRO3P
Molecular Weight
273.100000
Exact Mass
272.017690
InChI
InChI=1S/C8H18BrO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9/h3-8H2,1-2H3
InChIKey
LJSFAWDWYVZQBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
58.75
TPSA
35.53

LogP / Solubility

WLOGP
3.43
MLOGP
3.03
XLogP3
1.7
Consensus LogP
2.72
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95

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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