CAS RN: 2829292-66-0
(S)-tert-butyl azepan-3-ylcarbamate hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-129337
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: 0.25g, 1g, 0.1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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2829292-66-0 / tert-butyl N-[(3S)-azepan-3-yl]carbamate;hydrochloride
Basic Information
CAS
2829292-66-0
Multi CAS
No
Molecular Formula
C11H23CLN2O2
Molecular Weight
250.760000
Exact Mass
250.144806
InChI
InChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-9-6-4-5-7-12-8-9;/h9,12H,4-8H2,1-3H3,(H,13,14);1H/t9-;/m0./s1
InChIKey
UEUGQXKEIGANQC-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.13
TPSA
50.36
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
2.08
Consensus LogP
2
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-2.78
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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