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CAS 10471-28-0 Diethyl Dodecanedioate molecular structure lightbox
CAS RN: 10471-28-0

Diethyl Dodecanedioate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260428 5g / 10g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-006467
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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: ＞97%
  • 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 10471-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

10471-28-0 / diethyl dodecanedioate

Diethyl dodecanedioate | MV7BNQ5GTQ | NSC-137161

Standard CAS: 10471-28-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10471-28-0
Multi CAS
Yes
Molecular Formula
C16H30O4
Molecular Weight
286.410000
Exact Mass
286.214409
SMILES
CCOC(=O)CCCCCCCCCCC(=O)OCC
InChI
InChI=1S/C16H30O4/c1-3-19-15(17)13-11-9-7-5-6-8-10-12-14-16(18)20-4-2/h3-14H2,1-2H3
InChIKey
AFYNPRWLOKYLDU-UHFFFAOYSA-N
Synonyms
Diethyl dodecanedioate MV7BNQ5GTQ NSC-137161 DTXSID50146669 Dodecanedioic acid, 1,12-diethyl ester

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.88
Rotatable bonds
13
H-bond acceptors
4
Molar refractivity
79.44
TPSA
52.6

LogP / Solubility

WLOGP
4.01
MLOGP
3.54
XLogP3
4.6
Consensus LogP
4.05
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble

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)
-1.62

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
1.5

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