CAS RN: 49763-67-9
4-N-HEPTYLBENZALDEHYDE
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.20251214 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS49763-67-9
- Purity/Analytical Methods: >99.0%
49763-67-9 / 4-heptylbenzaldehyde
Basic Information
CAS
49763-67-9
Multi CAS
No
Molecular Formula
C14H20O
Molecular Weight
204.310000
Exact Mass
204.151415
InChI
InChI=1S/C14H20O/c1-2-3-4-5-6-7-13-8-10-14(12-15)11-9-13/h8-12H,2-7H2,1H3
InChIKey
JRFVBFVDDUPPNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
64.29
TPSA
17.07
LogP / Solubility
WLOGP
4.01
MLOGP
3.53
XLogP3
4.6
Consensus LogP
4.05
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
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)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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