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CAS 2430-94-6 CIS-5-DODECENOIC ACID molecular structure lightbox
CAS RN: 2430-94-6

CIS-5-DODECENOIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250913 50mg / 250mg / 1g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: SSC-118472
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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 2430-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2430-94-6 / dodec-5-enoic acid

Standard CAS: 2430-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2430-94-6
Multi CAS
No
Molecular Formula
C12H22O2
Molecular Weight
198.300000
Exact Mass
198.161980
SMILES
CCCCCCC=CCCCC(=O)O
InChI
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7-
InChIKey
IJBFSOLHRKELLR-FPLPWBNLSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.39
TPSA
37.3

LogP / Solubility

WLOGP
3.77
MLOGP
3.32
XLogP3
4
Consensus LogP
3.7
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly 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)
-1.25

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
1.5

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