![CAS 225641-82-7 Carbamic acid, [(1S,3R)-3-(acetyloxy)cyclopentyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/225641-82-7.gif)
CAS RN: 225641-82-7
Carbamic acid, [(1S,3R)-3-(acetyloxy)cyclopentyl]-, 1,1-dimethylethyl ester
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.20260111 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS225641-82-7
- Purity/Analytical Methods: >99.0%
225641-82-7 / [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
Basic Information
CAS
225641-82-7
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CC(=O)OC1CCC(C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-8(14)16-10-6-5-9(7-10)13-11(15)17-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15)/t9-,10+/m0/s1
InChIKey
SJPDVIOPSKNAJB-VHSXEESVSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.56
TPSA
64.63
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
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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