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CAS 21129-09-9 1,2-Tetradecanediol molecular structure lightbox
CAS RN: 21129-09-9

1,2-Tetradecanediol

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260615 100g In stock Inquiry
Batchno.20260422 1g In stock Inquiry
Batchno.20250506 25g In stock Inquiry
Batchno.20250714 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260413 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: ICTT1353
  • Purity/Analytical Methods: >90.0%(GC)
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21129-09-9 / tetradecane-1,2-diol

Standard CAS: 21129-09-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21129-09-9
Multi CAS
No
Molecular Formula
C14H30O2
Molecular Weight
230.390000
Exact Mass
230.224580
SMILES
CCCCCCCCCCCCC(CO)O
InChI
InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14-16H,2-13H2,1H3
InChIKey
DWANEFRJKWXRSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.55
TPSA
40.46

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
5
Consensus LogP
3.96
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
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)
-1.53

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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