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CAS 10500-34-2 2-Hexen-1-ylsuccinic Anhydride (cis- and trans- mixture) molecular structure lightbox
CAS RN: 10500-34-2

2-Hexen-1-ylsuccinic Anhydride (cis- and trans- mixture)

  • Product code: SSC-006797
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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 10500-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

10500-34-2 / 3-hex-2-enyloxolane-2,5-dione

2,5-Furandione, 3-(2-hexen-1-yl)dihydro- | 2,5-Furandione, 3-(2-hexenyl)dihydro- | DTXSID20884480

Standard CAS: 10500-34-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10500-34-2
Multi CAS
Yes
Molecular Formula
C10H14O3
Molecular Weight
182.220000
Exact Mass
182.094294
SMILES
CCCC=CCC1CC(=O)OC1=O
InChI
InChI=1S/C10H14O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h4-5,8H,2-3,6-7H2,1H3
InChIKey
VWXVGDSPDMSWFP-UHFFFAOYSA-N
Synonyms
2,5-Furandione, 3-(2-hexen-1-yl)dihydro- 2,5-Furandione, 3-(2-hexenyl)dihydro- DTXSID20884480 RefChem:83003 DTXCID201023916

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
47.87
TPSA
43.37

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.54

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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