CAS RN: 29053-62-1
1-Formylhomopiperazine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260219 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29053-62-1
- Purity/Analytical Methods: >99.0%
29053-62-1 / 1,4-diazepane-1-carbaldehyde
Basic Information
CAS
29053-62-1
Multi CAS
Yes
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
InChI
InChI=1S/C6H12N2O/c9-6-8-4-1-2-7-3-5-8/h6-7H,1-5H2
InChIKey
RNNVQNMOFQXXTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.12
TPSA
32.34
LogP / Solubility
WLOGP
-0.56
MLOGP
-0.5
XLogP3
-0.6
Consensus LogP
-0.55
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.9
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
