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CAS 18872-49-6 phosphoric acid,2-naphthalenyl diphenyl ester molecular structure lightbox
CAS RN: 18872-49-6

phosphoric acid,2-naphthalenyl diphenyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260424 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-087858
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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: 25g
  • Available purity: ＞97%
  • 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 18872-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

18872-49-6 / naphthalen-2-yl diphenyl phosphate

Standard CAS: 18872-49-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18872-49-6
Multi CAS
No
Molecular Formula
C22H17O4P
Molecular Weight
376.300000
Exact Mass
376.086446
SMILES
C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H17O4P/c23-27(24-20-11-3-1-4-12-20,25-21-13-5-2-6-14-21)26-22-16-15-18-9-7-8-10-19(18)17-22/h1-17H
InChIKey
JSJUBNHZCFKUKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
22
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
106.32
TPSA
44.76

LogP / Solubility

WLOGP
6.48
MLOGP
5.73
XLogP3
6.5
Consensus LogP
6.24
Log S (ESOL)
-6.47
Class (ESOL)
Insoluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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