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CAS 106315-37-1 ETHYL 3-CHLORO-2,2-DIMETHYLPROPANOATE molecular structure lightbox
CAS RN: 106315-37-1

ETHYL 3-CHLORO-2,2-DIMETHYLPROPANOATE

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260222 1g In stock Inquiry
Batchno.20260102 500mg In stock Inquiry
Batchno.20251019 5g In stock Inquiry
  • Product code: SSC-008039
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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: 5g
  • Available purity: ≥95%
  • 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 106315-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

106315-37-1 / ethyl 3-chloro-2,2-dimethylpropanoate

ethyl 3-chloro-2,2-dimethylpropanoate | DTXSID40301962 | RefChem:343364

Standard CAS: 106315-37-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106315-37-1
Multi CAS
Yes
Molecular Formula
C7H13ClO2
Molecular Weight
164.630000
Exact Mass
164.060407
SMILES
CCOC(=O)C(C)(C)CCl
InChI
InChI=1S/C7H13ClO2/c1-4-10-6(9)7(2,3)5-8/h4-5H2,1-3H3
InChIKey
NEVHNBRNUWSFSB-UHFFFAOYSA-N
Synonyms
ethyl 3-chloro-2,2-dimethylpropanoate DTXSID40301962 RefChem:343364 DTXCID20253096 848-594-8

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
41.13
TPSA
26.3

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.44

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
H227 (50%): Combustible liquid [Warning Flammable liquids] H302+H312 (50%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P210, 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, P370+P378, P403, P403+P233, P405, and P501

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