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CAS 10299-35-1 2,5-Diacetoxyhexane molecular structure lightbox
CAS RN: 10299-35-1

2,5-Diacetoxyhexane

  • Product code: SSC-004367
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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: ≥98%
  • 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 10299-35-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

10299-35-1 / 5-acetyloxyhexan-2-yl acetate

2,5-Diacetoxyhexane | hexane-2,5-diyl diacetate | 2,5-Hexanediol Diacetate

Standard CAS: 10299-35-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10299-35-1
Multi CAS
Yes
Molecular Formula
C10H18O4
Molecular Weight
202.250000
Exact Mass
202.120509
SMILES
CC(CCC(C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C10H18O4/c1-7(13-9(3)11)5-6-8(2)14-10(4)12/h7-8H,5-6H2,1-4H3
InChIKey
UNAGYNUYXVBAEI-UHFFFAOYSA-N
Synonyms
2,5-Diacetoxyhexane hexane-2,5-diyl diacetate 2,5-Hexanediol Diacetate 5-acetyloxyhexan-2-yl acetate MFCD09038521

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
51.69
TPSA
52.6

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.6
Consensus LogP
1.58
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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