CAS RN: 60658-41-5
TETRADECANOIC-D27 ACID
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS60658-41-5
- Purity/Analytical Methods: >99.0%
60658-41-5 / 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoic acid
Basic Information
CAS
60658-41-5
Multi CAS
Yes
Molecular Formula
C14H28O2
Molecular Weight
255.540000
Exact Mass
255.378402
InChI
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2
InChIKey
TUNFSRHWOTWDNC-RZVOLPTOSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.71
TPSA
37.3
LogP / Solubility
WLOGP
4.77
MLOGP
4.2
XLogP3
5.3
Consensus LogP
4.76
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
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)
-0.72
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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