CAS RN: 21188-58-9
3-Hydroxyhexanoic Acid Methyl Ester
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.20250701 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Guangdong, Chongqing, Hebei, Shandong | Inquiry |
- Product code: SSC-101199
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 |
21188-58-9 / methyl 3-hydroxyhexanoate
Basic Information
CAS
21188-58-9
Multi CAS
No
Molecular Formula
C7H14O3
Molecular Weight
146.180000
Exact Mass
146.094294
SMILES
CCCC(CC(=O)OC)O
InChI
InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3
InChIKey
ACCRBMDJCPPJDX-UHFFFAOYSA-N
Physical Properties
Boiling Point
220.00 to 221.00 °C. @ 760.00 mm Hg
Density
0.994-1.010
Physical Description
colourless to pale yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.55
TPSA
46.53
LogP / Solubility
WLOGP
0.71
MLOGP
0.62
XLogP3
0.7
Consensus LogP
0.68
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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