CAS RN: 1033245-45-2
S-2-(CBZ-AMINOMETHYL)PYRROLIDINE-HCl
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.20260403 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-004807
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1033245-45-2 / benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride
(S)-Benzyl (pyrrolidin-2-ylmethyl)carbamate hydrochloride | S-2-(CBZ-AMINOMETHYL)PYRROLIDINE-HCl | MFCD09749850
Basic Information
CAS
1033245-45-2
Multi CAS
Yes
Molecular Formula
C13H19ClN2O2
Molecular Weight
270.750000
Exact Mass
270.113506
SMILES
C1C[C@H](NC1)CNC(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C13H18N2O2.ClH/c16-13(15-9-12-7-4-8-14-12)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12,14H,4,7-10H2,(H,15,16);1H/t12-;/m0./s1
InChIKey
AEFMEOUFLZOLHQ-YDALLXLXSA-N
Synonyms
(S)-Benzyl (pyrrolidin-2-ylmethyl)carbamate hydrochloride
S-2-(CBZ-AMINOMETHYL)PYRROLIDINE-HCl
MFCD09749850
(S)-2-N-Cbz-aminomethyl-pyrrolidine HCl
benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.9
TPSA
50.36
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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