CAS RN: 60176-77-4
(1R,4S)-CIS-4-ACETOXY-2-CYCLOPENTEN-1-OL
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.20250608 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS60176-77-4
- Purity/Analytical Methods: >99.0%
60176-77-4 / (4-hydroxycyclopent-2-en-1-yl) acetate
Basic Information
CAS
60176-77-4
Multi CAS
Yes
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
InChI
InChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7+/m0/s1
InChIKey
IJDYOKVVRXZCFD-NKWVEPMBSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.32
TPSA
46.53
LogP / Solubility
WLOGP
0.24
MLOGP
0.2
XLogP3
0.1
Consensus LogP
0.18
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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