CAS RN: 84743-29-3
10C-PENTADECENOIC ACID
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS84743-29-3
- Purity/Analytical Methods: >99.0%
84743-29-3 / (Z)-pentadec-10-enoic acid
Basic Information
CAS
84743-29-3
Multi CAS
Yes
Molecular Formula
C15H28O2
Molecular Weight
240.380000
Exact Mass
240.208930
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6H,2-4,7-14H2,1H3,(H,16,17)/b6-5-
InChIKey
APXSAEQXOXTDAM-WAYWQWQTSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.24
TPSA
37.3
LogP / Solubility
WLOGP
4.94
MLOGP
4.35
XLogP3
5.6
Consensus LogP
4.96
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.76
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)
-0.68
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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