[email protected]
CAS 1068-21-9 Diethyl Phosphoramidate molecular structure lightbox
CAS RN: 1068-21-9

Diethyl Phosphoramidate

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251114 1g In stock Inquiry
Batchno.20251114 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260603 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-008312
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 1068-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

1068-21-9 / [amino(ethoxy)phosphoryl]oxyethane

Diethyl phosphoramidate | Phosphoramidic acid, diethyl ester | [amino(ethoxy)phosphoryl]oxyethane

Standard CAS: 1068-21-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1068-21-9
Multi CAS
Yes
Molecular Formula
C4H12NO3P
Molecular Weight
153.120000
Exact Mass
153.055480
SMILES
CCOP(=O)(N)OCC
InChI
InChI=1S/C4H12NO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H2,5,6)
InChIKey
MCQILDHFZKTBOD-UHFFFAOYSA-N
Synonyms
Diethyl phosphoramidate Phosphoramidic acid, diethyl ester [amino(ethoxy)phosphoryl]oxyethane JA4HUR5BZE NSC 56755

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.05
TPSA
61.55

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
-0.5
Consensus LogP
0.54
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-2.85

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us