CAS RN: 90176-52-6
CIS-10-PENTADECENOIC ACID METHYL ESTER (C15:1)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251115 | 10mg | In stock | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS90176-52-6
- Purity/Analytical Methods: >99.0%
90176-52-6 / methyl pentadec-10-enoate
Basic Information
CAS
90176-52-6
Multi CAS
Yes
Molecular Formula
C16H30O2
Molecular Weight
254.410000
Exact Mass
254.224580
InChI
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h6-7H,3-5,8-15H2,1-2H3/b7-6-
InChIKey
JEDIPLFNJDRCFD-SREVYHEPSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.81
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
77.62
TPSA
26.3
LogP / Solubility
WLOGP
5.03
MLOGP
4.43
XLogP3
6
Consensus LogP
5.15
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.93
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)
-0.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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