[email protected]
CAS 1145-93-3 Diethyl (4-Methoxybenzyl)phosphonate molecular structure lightbox
CAS RN: 1145-93-3

Diethyl (4-Methoxybenzyl)phosphonate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 100g In stock Shanghai Inquiry
Batchno.20250709 25g In stock Shanghai, Wuhan Inquiry
Batchno.20250725 500g In stock Shanghai Inquiry
Batchno.20250105 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-014268
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: 25g
  • Available purity: ＞97%
  • 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 1145-93-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

1145-93-3 / 1-(diethoxyphosphorylmethyl)-4-methoxybenzene

EINECS 214-548-5 | D90244

Standard CAS: 1145-93-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1145-93-3
Multi CAS
Yes
Molecular Formula
C12H19O4P
Molecular Weight
258.250000
Exact Mass
258.102096
SMILES
CCOP(=O)(CC1=CC=C(C=C1)OC)OCC
InChI
InChI=1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKey
NKARVHNAACNYGE-UHFFFAOYSA-N
Synonyms
EINECS 214-548-5 D90244

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
67.56
TPSA
44.76

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
1.7
Consensus LogP
2.74
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
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)
-1.84

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