CAS RN: 1823931-29-8
(4-Methylazepan-4-Yl)Methanol Hydrochloride(WX601233)
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.20260212 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823931-29-8
- Purity/Analytical Methods: >99.0%
1823931-29-8 / (4-methylazepan-4-yl)methanol;hydrochloride
Basic Information
CAS
1823931-29-8
Multi CAS
No
Molecular Formula
C8H18ClNO
Molecular Weight
179.690000
Exact Mass
179.107692
SMILES
CC1(CCCNCC1)CO.Cl
InChI
InChI=1S/C8H17NO.ClH/c1-8(7-10)3-2-5-9-6-4-8;/h9-10H,2-7H2,1H3;1H
InChIKey
JSMBATBUEJDDEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.16
TPSA
32.26
LogP / Solubility
WLOGP
1.18
MLOGP
1.04
XLogP3
1.18
Consensus LogP
1.13
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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