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CAS 28715-21-1 3-HYDROXYTETRADECANOIC ACID molecular structure lightbox
CAS RN: 28715-21-1

3-HYDROXYTETRADECANOIC ACID

  • Product code: SSC-130346
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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: ＞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 28715-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

28715-21-1 / 3-hydroxytetradecanoic acid

Standard CAS: 28715-21-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28715-21-1
Multi CAS
No
Molecular Formula
C14H28O3
Molecular Weight
244.370000
Exact Mass
244.203845
SMILES
CCCCCCCCCCCC(CC(=O)O)O
InChI
InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
InChIKey
ATRNZOYKSNPPBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.1
TPSA
57.53

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
4.7
Consensus LogP
3.91
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
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)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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