CAS RN: 6948-25-0
methyl 1-hydroxycyclopentane-1-carboxylate
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250105 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6948-25-0
- Purity/Analytical Methods: >99.0%
6948-25-0 / methyl 1-hydroxycyclopentane-1-carboxylate
Basic Information
CAS
6948-25-0
Multi CAS
Yes
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c1-10-6(8)7(9)4-2-3-5-7/h9H,2-5H2,1H3
InChIKey
APSCDNXUQLGQJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.43
TPSA
46.53
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
0.5
Consensus LogP
0.45
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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