![CAS 454709-98-9 Carbamic acid, [(1R,3S)-3-aminocyclopentyl]-, 1,1-dimethylethyl ester, rel- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/454709-98-9.gif)
CAS RN: 454709-98-9
Carbamic acid, [(1R,3S)-3-aminocyclopentyl]-, 1,1-dimethylethyl ester, rel-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260211 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-153209
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, 1g, 5g, 0.25g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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.
454709-98-9 / tert-butyl N-[(1R,3S)-3-aminocyclopentyl]carbamate
Basic Information
CAS
454709-98-9
Multi CAS
Yes
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
InChI
InChI=1S/C10H20N2O2/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)/t7-,8+/m0/s1
InChIKey
PGBVMVTUWHCOHX-JGVFFNPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.98
TPSA
64.35
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.95
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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