CAS RN: 87745-18-4
2-(PROPYL-3,3,3-D3)PENTANOIC-5,5,5-D3 ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251001 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-198025
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: 0.01g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.01g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
87745-18-4 / 2-propylpentanoic acid
Basic Information
CAS
87745-18-4
Multi CAS
Yes
Molecular Formula
C8H16O2
Molecular Weight
144.210000
Exact Mass
144.115030
InChI
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i1D3,2D3
InChIKey
NIJJYAXOARWZEE-WFGJKAKNSA-N
Physical Properties
Boiling Point
428 °F at 760 mmHg (NTP, 1992)
219.5 °C
BP: 219 to 220 °C
222 °C
Density
0.922 at 32 °F (NTP, 1992) - Less dense than water; will float
0.904 g/cu cm at 25 °C
Physical Description
Valproic acid is a clear colorless liquid. (NTP, 1992)
Liquid
Appearance
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.94
TPSA
37.3
LogP / Solubility
WLOGP
2.29
MLOGP
2.01
XLogP3
2.8
Consensus LogP
2.37
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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