[email protected]
CAS 3453-00-7 Diethyl (2-Oxo-2-phenylethyl)phosphonate molecular structure lightbox
CAS RN: 3453-00-7

Diethyl (2-Oxo-2-phenylethyl)phosphonate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251215 200mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250828 1g In stock Shanghai Inquiry
Batchno.20250311 250mg In stock Shanghai Inquiry
Batchno.20260130 5g In stock Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-141009
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 3453-00-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

3453-00-7 / 2-diethoxyphosphoryl-1-phenylethanone

Standard CAS: 3453-00-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3453-00-7
Multi CAS
Yes
Molecular Formula
C12H17O4P
Molecular Weight
256.230000
Exact Mass
256.086446
InChI
InChI=1S/C12H17O4P/c1-3-15-17(14,16-4-2)10-12(13)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey
HPEVTTNSIPGLEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
66.5
TPSA
52.6

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
1.6
Consensus LogP
2.5
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.77
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)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us