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CAS 363622-48-4 diethyl 3,5-dibromobenzylphosphonate molecular structure lightbox
CAS RN: 363622-48-4

diethyl 3,5-dibromobenzylphosphonate

  • Product code: SSC-143549
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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 363622-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

363622-48-4 / 1,3-dibromo-5-(diethoxyphosphorylmethyl)benzene

Standard CAS: 363622-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
363622-48-4
Multi CAS
No
Molecular Formula
C11H15BR2O3P
Molecular Weight
386.020000
Exact Mass
385.910510
InChI
InChI=1S/C11H15Br2O3P/c1-3-15-17(14,16-4-2)8-9-5-10(12)7-11(13)6-9/h5-7H,3-4,8H2,1-2H3
InChIKey
JWRJFHLIWMHXGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
76.4
TPSA
35.53

LogP / Solubility

WLOGP
4.98
MLOGP
4.4
XLogP3
3.1
Consensus LogP
4.16
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.02
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54

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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