![CAS 1021392-84-6 3-Aminomethyl-3-[bis(phenylmethyl)amino]oxetane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1021392-84-6.gif)
CAS RN: 1021392-84-6
3-Aminomethyl-3-[bis(phenylmethyl)amino]oxetane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250417 | 100mg / 250mg / 1g / 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-003409
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1021392-84-6 / 3-(aminomethyl)-N,N-dibenzyloxetan-3-amine
3-(aminomethyl)-N,N-dibenzyloxetan-3-amine | 3-AMINOMETHYL-3-[BIS(PHENYLMETHYL)AMINO]OXETANE | MFCD19443904
Basic Information
CAS
1021392-84-6
Multi CAS
No
Molecular Formula
C18H22N2O
Molecular Weight
282.400000
Exact Mass
282.173213
SMILES
C1C(CO1)(CN)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2O/c19-13-18(14-21-15-18)20(11-16-7-3-1-4-8-16)12-17-9-5-2-6-10-17/h1-10H,11-15,19H2
InChIKey
ZPSXXTVNJOLCNF-UHFFFAOYSA-N
Synonyms
3-(aminomethyl)-N,N-dibenzyloxetan-3-amine
3-AMINOMETHYL-3-[BIS(PHENYLMETHYL)AMINO]OXETANE
MFCD19443904
3-OXETANEMETHANAMINE, 3-[BIS(PHENYLMETHYL)AMINO]-
3-(Aminomethyl)-N,N-dibenzyl-oxetan-3-amine
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.74
TPSA
38.49
LogP / Solubility
WLOGP
2.42
MLOGP
2.14
XLogP3
1.8
Consensus LogP
2.12
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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