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CAS 14065-32-8 METHYL 10-CHLORO-10-OXODECANOATE molecular structure lightbox
CAS RN: 14065-32-8

METHYL 10-CHLORO-10-OXODECANOATE

  • Product code: SSC-051195
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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: ≥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 14065-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

14065-32-8 / methyl 10-chloro-10-oxodecanoate

Standard CAS: 14065-32-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14065-32-8
Multi CAS
No
Molecular Formula
C11H19ClO3
Molecular Weight
234.720000
Exact Mass
234.102272
SMILES
COC(=O)CCCCCCCCC(=O)Cl
InChI
InChI=1S/C11H19ClO3/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3
InChIKey
ZUUUAAZQEMFVSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
59.81
TPSA
43.37

LogP / Solubility

WLOGP
3.05
MLOGP
2.68
XLogP3
3.4
Consensus LogP
3.04
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.99

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)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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