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CAS 3927-60-4 Methylhydrogenhendecanedioate molecular structure lightbox
CAS RN: 3927-60-4

Methylhydrogenhendecanedioate

  • Product code: SSC-146968
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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: ≥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 3927-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

3927-60-4 / 11-methoxy-11-oxoundecanoic acid

Standard CAS: 3927-60-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3927-60-4
Multi CAS
Yes
Molecular Formula
C12H22O4
Molecular Weight
230.300000
Exact Mass
230.151809
InChI
InChI=1S/C12H22O4/c1-16-12(15)10-8-6-4-2-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)
InChIKey
JAELIPKEGUQPKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.2
TPSA
63.6

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
3
Consensus LogP
2.73
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly 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)
-2.17

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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