CAS RN: 76062-97-0
R-(3)-HYDROXYMYRISTIC ACID, METHYL ESTER
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-185513
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
76062-97-0 / methyl 3-hydroxytetradecanoate
Basic Information
CAS
76062-97-0
Multi CAS
Yes
Molecular Formula
C15H30O3
Molecular Weight
258.400000
Exact Mass
258.219495
InChI
InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14,16H,3-13H2,1-2H3/t14-/m1/s1
InChIKey
UOZZAMWODZQSOA-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.48
TPSA
46.53
LogP / Solubility
WLOGP
3.83
MLOGP
3.38
XLogP3
5
Consensus LogP
4.07
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble
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)
-1.58
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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