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CAS 112083-63-3 ETHYL (S)-3,4-EPOXYBUTANOATE molecular structure lightbox
CAS RN: 112083-63-3

ETHYL (S)-3,4-EPOXYBUTANOATE

  • Product code: SSC-012569
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 112083-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shanghai Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g -- 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g -- 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Hong Kong Inquiry

112083-63-3 / ethyl 2-[(2S)-oxiran-2-yl]acetate

Ethyl 2-(oxiran-2-yl)acetate | RefChem:594034 | 847-258-8

Standard CAS: 112083-63-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112083-63-3
Multi CAS
Yes
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
SMILES
CCOC(=O)C[C@H]1CO1
InChI
InChI=1S/C6H10O3/c1-2-8-6(7)3-5-4-9-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKey
WHUSTVAXKRFVPD-YFKPBYRVSA-N
Synonyms
Ethyl 2-(oxiran-2-yl)acetate RefChem:594034 847-258-8 Ethyl oxiraneacetate ethyl 3,4-epoxybutyrate

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
30.99
TPSA
38.83

LogP / Solubility

WLOGP
0.34
MLOGP
0.29
XLogP3
0.1
Consensus LogP
0.24
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.15
Class (SILICOS-IT)
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)
-3.27

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
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (88.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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