CAS 10123-62-3 DIETHYL (2-CYANOETHYL)PHOSPHONATE 95 molecular structure

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CAS RN: 10123-62-3

DIETHYL (2-CYANOETHYL)PHOSPHONATE 95

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3 package records3 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20250531	1g	In stock	Inquiry
Batchno.20250823	25g	In stock	Inquiry
Batchno.20251022	5g	In stock	Inquiry

Product code: SSC-002070

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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: ＞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 10123-62-3
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	＞97%	0 Out of Stock	Beijing	Inquiry

10123-62-3 / 3-diethoxyphosphorylpropanenitrile

Diethyl (2-cyanoethyl)phosphonate | Diethyl 2-cyanoethanephosphonate | NSC 43781

Standard CAS: 10123-62-3 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

10123-62-3

Multi CAS

Yes

Molecular Formula

C7H14NO3P

Molecular Weight

191.160000

Exact Mass

191.071130

SMILES

CCOP(=O)(CCC#N)OCC

InChI

InChI=1S/C7H14NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-5,7H2,1-2H3

InChIKey

LDOZIDLMPNCNDI-UHFFFAOYSA-N

Synonyms

Diethyl (2-cyanoethyl)phosphonate Diethyl 2-cyanoethanephosphonate NSC 43781 NSC 74863 Phosphonic acid, (2-cyanoethyl)-, diethyl ester

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.86

Rotatable bonds

H-bond acceptors

Molar refractivity

45.96

TPSA

59.32

LogP / Solubility

WLOGP

2.17

MLOGP

1.91

XLogP3

-0.1

Consensus LogP

1.33

Log S (ESOL)

-1.99

Class (ESOL)

Soluble

Log S (Ali)

-2.69

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3.42

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.35

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

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 (100%): 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