CAS RN: 3648-21-3
DI-N-HEPTYL PHTHALATE
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250818 | 100mg | In stock | Inquiry |
- Product code: SSC-143679
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
3648-21-3 / diheptyl benzene-1,2-dicarboxylate
Basic Information
CAS
3648-21-3
Multi CAS
No
Molecular Formula
C22H34O4
Molecular Weight
362.500000
Exact Mass
362.245710
InChI
InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChIKey
JQCXWCOOWVGKMT-UHFFFAOYSA-N
Physical Properties
Boiling Point
360 °C
Density
1 at 68 °F (est.) (USCG, 1999)
Relative density (water = 1): 0.99
Physical Description
Diheptyl phthalate appears as odorless white liquid. May float or sink in water. (USCG, 1999)
Colorless odorless liquid; [ICSC] White odorless liquid; [CAMEO] Colorless liquid;
ODOURLESS COLOURLESS LIQUID.
Appearance
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
104.53
TPSA
52.6
LogP / Solubility
WLOGP
5.94
MLOGP
5.25
XLogP3
8
Consensus LogP
6.4
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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