CAS RN: 946152-80-3
(1R,3R)-3-Hydroxycyclopentane carboxylic acid benzyl 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.20250713 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS946152-80-3
- Purity/Analytical Methods: >99.0%
946152-80-3 / benzyl 3-hydroxycyclopentane-1-carboxylate
Basic Information
CAS
946152-80-3
Multi CAS
Yes
Molecular Formula
C13H16O3
Molecular Weight
220.260000
Exact Mass
220.109944
InChI
InChI=1S/C13H16O3/c14-12-7-6-11(8-12)13(15)16-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2/t11-,12-/m1/s1
InChIKey
RDUCOWDKAANTQZ-VXGBXAGGSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.59
TPSA
46.53
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.8
Consensus LogP
1.79
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.72
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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