CAS RN: 1268512-00-0
tert-butyl ((1S,3S)-3-aminocyclopentyl)carbamate hydrochloride
- Product code: SSC-034086
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 | Shanghai | Inquiry |
1268512-00-0 / tert-butyl N-[(1S,3S)-3-aminocyclopentyl]carbamate;hydrochloride
Basic Information
CAS
1268512-00-0
Multi CAS
No
Molecular Formula
C10H21ClN2O2
Molecular Weight
236.740000
Exact Mass
236.129156
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)N.Cl
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8;/h7-8H,4-6,11H2,1-3H3,(H,12,13);1H/t7-,8-;/m0./s1
InChIKey
RYHBULZGXHADRD-WSZWBAFRSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.23
TPSA
64.35
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.81
Consensus LogP
1.74
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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