CAS RN: 1438272-42-4
Mbx2329
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251005 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260512 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250721 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250409 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250605 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251214 | 25mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250912 | 50mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250727 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS1438272-42-4
- Purity/Analytical Methods: >99.0%
1438272-42-4 / 1-[2-(2-ethylphenoxy)ethyl]azepane;hydrochloride
Basic Information
CAS
1438272-42-4
Multi CAS
No
Molecular Formula
C16H26ClNO
Molecular Weight
283.830000
Exact Mass
283.170292
SMILES
CCC1=CC=CC=C1OCCN2CCCCCC2.Cl
InChI
InChI=1S/C16H25NO.ClH/c1-2-15-9-5-6-10-16(15)18-14-13-17-11-7-3-4-8-12-17;/h5-6,9-10H,2-4,7-8,11-14H2,1H3;1H
InChIKey
JMIAUPZSIMYFEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.47
TPSA
12.47
LogP / Solubility
WLOGP
3.93
MLOGP
3.46
XLogP3
3.93
Consensus LogP
3.77
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66
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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