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CAS 115-89-9 DIPHENYL METHYL PHOSPHATE molecular structure lightbox
CAS RN: 115-89-9

DIPHENYL METHYL PHOSPHATE

  • Product code: SSC-014692
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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 115-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

115-89-9 / methyl diphenyl phosphate

METHYL DIPHENYL PHOSPHATE | Diphenyl methyl phosphate | Phosphoric acid, methyl diphenyl ester

Standard CAS: 115-89-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
115-89-9
Multi CAS
Yes
Molecular Formula
C13H13O4P
Molecular Weight
264.210000
Exact Mass
264.055146
SMILES
COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C13H13O4P/c1-15-18(14,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
VOWPVJACXJNHBC-UHFFFAOYSA-N
Synonyms
METHYL DIPHENYL PHOSPHATE Diphenyl methyl phosphate Phosphoric acid, methyl diphenyl ester 8RU4VED06P NSC-96635

Physical Properties

Density
1.225-1.235 @ 25 °C
Physical Description
Clear liquid; [Hawley]
Appearance
CLEAR, OILY LIQ
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
68.76
TPSA
44.76

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
3
Consensus LogP
3.45
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

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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