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CAS 26702-65-8 POLY(2-METHYL-1 3-PROPYLENE ADIPATE) molecular structure lightbox
CAS RN: 26702-65-8

POLY(2-METHYL-1 3-PROPYLENE ADIPATE)

  • Product code: SSC-124828
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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: 500g
  • 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 26702-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g 95%+ 0 Out of Stock Shenzhen Inquiry

26702-65-8 / hexanedioic acid;2-methylpropane-1,3-diol

Standard CAS: 26702-65-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26702-65-8
Multi CAS
No
Molecular Formula
C10H20O6
Molecular Weight
236.260000
Exact Mass
236.125988
SMILES
CC(CO)CO.C(CCC(=O)O)CC(=O)O
InChI
InChI=1S/C6H10O4.C4H10O2/c7-5(8)3-1-2-4-6(9)10;1-4(2-5)3-6/h1-4H2,(H,7,8)(H,9,10);4-6H,2-3H2,1H3
InChIKey
JNNCJSOAYUEOHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
57.08
TPSA
115.06

LogP / Solubility

WLOGP
0.32
MLOGP
0.29
XLogP3
0.32
Consensus LogP
0.31
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93

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

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