![CAS 884507-50-0 {4-[(4-Methylperhydro-1,4-diazepin-1-yl)methyl]phenyl}methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/884507-50-0.gif)
CAS RN: 884507-50-0
{4-[(4-Methylperhydro-1,4-diazepin-1-yl)methyl]phenyl}methanol
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251204 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS884507-50-0
- Purity/Analytical Methods: >99.0%
884507-50-0 / [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanol
Basic Information
CAS
884507-50-0
Multi CAS
No
Molecular Formula
C14H22N2O
Molecular Weight
234.340000
Exact Mass
234.173213
InChI
InChI=1S/C14H22N2O/c1-15-7-2-8-16(10-9-15)11-13-3-5-14(12-17)6-4-13/h3-6,17H,2,7-12H2,1H3
InChIKey
YQUWAYPNHCWYNU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.76
TPSA
26.71
LogP / Solubility
WLOGP
1.32
MLOGP
1.16
XLogP3
1
Consensus LogP
1.16
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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