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CAS 119290-12-9 10-PROPOXY-DECANOIC ACID molecular structure lightbox
CAS RN: 119290-12-9

10-PROPOXY-DECANOIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251104 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS119290-12-9
  • Purity/Analytical Methods: >99.0%
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119290-12-9 / 10-propoxydecanoic acid

10-Propoxydecanoic acid | 11-Oxatetradecanoic acid | 11-Oxymyristic acid

Standard CAS: 119290-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119290-12-9
Multi CAS
No
Molecular Formula
C13H26O3
Molecular Weight
230.340000
Exact Mass
230.188195
SMILES
CCCOCCCCCCCCCC(=O)O
InChI
InChI=1S/C13H26O3/c1-2-11-16-12-9-7-5-3-4-6-8-10-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey
HSRAJJQTYQHRSA-UHFFFAOYSA-N
Synonyms
10-Propoxydecanoic acid 11-Oxatetradecanoic acid 11-Oxymyristic acid 10-(Propoxy)decanoic acid DTXSID80922918

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.68
TPSA
46.53

LogP / Solubility

WLOGP
3.62
MLOGP
3.19
XLogP3
3.7
Consensus LogP
3.5
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
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)
-1.56

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
1.5

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