CAS RN: 1322200-77-0
3-(4-Methylphenyl)-3-oxetanamine hydrochloride
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.20251020 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1322200-77-0
- Purity/Analytical Methods: >99.0%
1322200-77-0 / 3-(4-methylphenyl)oxetan-3-amine;hydrochloride
Basic Information
CAS
1322200-77-0
Multi CAS
No
Molecular Formula
C10H14ClNO
Molecular Weight
199.680000
Exact Mass
199.076392
SMILES
CC1=CC=C(C=C1)C2(COC2)N.Cl
InChI
InChI=1S/C10H13NO.ClH/c1-8-2-4-9(5-3-8)10(11)6-12-7-10;/h2-5H,6-7,11H2,1H3;1H
InChIKey
UKNASRDBASHMNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.11
TPSA
35.25
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.8
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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