![CAS 28795-81-5 [1,4]Diazepan-6-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/28795-81-5.gif)
CAS RN: 28795-81-5
[1,4]Diazepan-6-ol
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.20260618 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS28795-81-5
- Purity/Analytical Methods: >99.0%
28795-81-5 / 1,4-diazepan-6-ol
Basic Information
CAS
28795-81-5
Multi CAS
Yes
Molecular Formula
C5H12N2O
Molecular Weight
116.160000
Exact Mass
116.094963
InChI
InChI=1S/C5H12N2O/c8-5-3-6-1-2-7-4-5/h5-8H,1-4H2
InChIKey
SJLSQITZGUTOMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
31.75
TPSA
44.29
LogP / Solubility
WLOGP
-1.46
MLOGP
-1.29
XLogP3
-1.5
Consensus LogP
-1.42
Log S (ESOL)
0.36
Class (ESOL)
Highly soluble
Log S (Ali)
0.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.8
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.47
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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