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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
613-28-5 / 4-(dipropylamino)benzaldehyde
Basic Information
CAS
613-28-5
Multi CAS
Yes
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
InChI
InChI=1S/C13H19NO/c1-3-9-14(10-4-2)13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKey
HDOZLDYBGNJMMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
64.62
TPSA
20.31
LogP / Solubility
WLOGP
3.13
MLOGP
2.75
XLogP3
3.3
Consensus LogP
3.06
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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1,4-DIPHENYLPIPERAZINE
- CAS RN: 613-39-8
- Product Code: starshine_CAS613-39-8
- Purity/Analytical method: >99.0%
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