CAS RN: 1303968-16-2
4-Boc-aminomethylphenethylamine 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.20251027 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-037014
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 |
1303968-16-2 / tert-butyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate;hydrochloride
Basic Information
CAS
1303968-16-2
Multi CAS
No
Molecular Formula
C14H23ClN2O2
Molecular Weight
286.800000
Exact Mass
286.144806
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CCN.Cl
InChI
InChI=1S/C14H22N2O2.ClH/c1-14(2,3)18-13(17)16-10-12-6-4-11(5-7-12)8-9-15;/h4-7H,8-10,15H2,1-3H3,(H,16,17);1H
InChIKey
QQKWTFCYGHWRGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
79.52
TPSA
64.35
LogP / Solubility
WLOGP
2.63
MLOGP
2.33
XLogP3
2.63
Consensus LogP
2.53
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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