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CAS 94278-10-1 dodecyl hydrogen glutarate molecular structure lightbox
CAS RN: 94278-10-1

dodecyl hydrogen glutarate

  • Product code: SSC-208941
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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: 1g
  • 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 94278-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

94278-10-1 / 5-dodecoxy-5-oxopentanoic acid

Standard CAS: 94278-10-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94278-10-1
Multi CAS
No
Molecular Formula
C17H32O4
Molecular Weight
300.400000
Exact Mass
300.230060
InChI
InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-15-21-17(20)14-12-13-16(18)19/h2-15H2,1H3,(H,18,19)
InChIKey
UKYJMLNALVDWAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
15
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.29
TPSA
63.6

LogP / Solubility

WLOGP
4.71
MLOGP
4.15
XLogP3
5.4
Consensus LogP
4.75
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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