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CAS 538-37-4 DIBENZYLPHOSPHORYL CHLORIDE molecular structure lightbox
CAS RN: 538-37-4

DIBENZYLPHOSPHORYL CHLORIDE

  • Product code: SSC-161189
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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: 0.25g, 1g, 5g, 10g
  • 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 538-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

538-37-4 / [chloro(phenylmethoxy)phosphoryl]oxymethylbenzene

Standard CAS: 538-37-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
538-37-4
Multi CAS
Yes
Molecular Formula
C14H14CLO3P
Molecular Weight
296.680000
Exact Mass
296.036909
InChI
InChI=1S/C14H14ClO3P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
YADJFRGSGWGMNH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
75.92
TPSA
35.53

LogP / Solubility

WLOGP
4.77
MLOGP
4.21
XLogP3
3.2
Consensus LogP
4.06
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15

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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