CAS RN: 572924-00-6
(S)-2-CYCLOPENTYLOXYCARBONYLAMINO-3,3-DIMETHYL-BUTYRIC ACID
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.20251113 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS572924-00-6
- Purity/Analytical Methods: >99.0%
572924-00-6 / 2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid
Basic Information
CAS
572924-00-6
Multi CAS
Yes
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
InChI
InChI=1S/C12H21NO4/c1-12(2,3)9(10(14)15)13-11(16)17-8-6-4-5-7-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKey
VKOXJCPQUQBCAJ-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.75
TPSA
75.63
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
2.6
Consensus LogP
2.22
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.67
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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