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CAS 14338-82-0 METHYLENEBIS(THIOGLYCOLIC ACID DI-N-BUTYL ESTER) molecular structure lightbox
CAS RN: 14338-82-0

METHYLENEBIS(THIOGLYCOLIC ACID DI-N-BUTYL ESTER)

  • Product code: SSC-054755
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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: 25g
  • 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 14338-82-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

14338-82-0 / butyl 2-[(2-butoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate

Standard CAS: 14338-82-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14338-82-0
Multi CAS
No
Molecular Formula
C13H24O4S2
Molecular Weight
308.500000
Exact Mass
308.111602
SMILES
CCCCOC(=O)CSCSCC(=O)OCCCC
InChI
InChI=1S/C13H24O4S2/c1-3-5-7-16-12(14)9-18-11-19-10-13(15)17-8-6-4-2/h3-11H2,1-2H3
InChIKey
QCWRDNFBMVSDEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
81.52
TPSA
52.6

LogP / Solubility

WLOGP
3.1
MLOGP
2.74
XLogP3
4
Consensus LogP
3.28
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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