CAS RN: 1610028-41-5
tert-Butyl Methyl(pyrrolidin-3-yl)carbaMate hydrochloride
- Product code: SSC-068761
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1610028-41-5 / tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride
Basic Information
CAS
1610028-41-5
Multi CAS
No
Molecular Formula
C10H21ClN2O2
Molecular Weight
236.740000
Exact Mass
236.129156
SMILES
CC(C)(C)OC(=O)N(C)C1CCNC1.Cl
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8;/h8,11H,5-7H2,1-4H3;1H
InChIKey
GQKDCIVYKGWBBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.52
TPSA
41.57
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.64
Consensus LogP
1.57
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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