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CAS 10236-14-3 TRIETHYL 4-PHOSPHONOCROTONATE molecular structure lightbox
CAS RN: 10236-14-3

TRIETHYL 4-PHOSPHONOCROTONATE

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250919 10g In stock Shanghai Inquiry
Batchno.20250325 1g In stock Shanghai Inquiry
Batchno.20260130 250mg In stock Shanghai Inquiry
Batchno.20250203 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS10236-14-3
  • Purity/Analytical Methods: >99.0%
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10236-14-3 / ethyl (E)-4-diethoxyphosphorylbut-2-enoate

ethyl (2E)-4-(diethoxyphosphoryl)but-2-enoate | RefChem:592957 | 868-050-3

Standard CAS: 10236-14-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10236-14-3
Multi CAS
Yes
Molecular Formula
C10H19O5P
Molecular Weight
250.230000
Exact Mass
250.097011
SMILES
CCOC(=O)/C=C/CP(=O)(OCC)OCC
InChI
InChI=1S/C10H19O5P/c1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3/h7-8H,4-6,9H2,1-3H3/b8-7+
InChIKey
LXLODBXSCRTXFG-BQYQJAHWSA-N
Synonyms
ethyl (2E)-4-(diethoxyphosphoryl)but-2-enoate RefChem:592957 868-050-3 Ethyl 4-(diethoxyphosphoryl)-2-butenoate ethyl 4-diethoxyphosphorylbut-2-enoate

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
61.5
TPSA
61.83

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
0.7
Consensus LogP
1.72
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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 (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

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