CAS RN: 1310146-00-9
Epirengynic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260130 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS1310146-00-9
- Purity/Analytical Methods: >99.0%
1310146-00-9 / 2-(1,4-dihydroxycyclohexyl)acetic acid
Basic Information
CAS
1310146-00-9
Multi CAS
No
Molecular Formula
C8H14O4
Molecular Weight
174.190000
Exact Mass
174.089209
SMILES
C1CC(CCC1O)(CC(=O)O)O
InChI
InChI=1S/C8H14O4/c9-6-1-3-8(12,4-2-6)5-7(10)11/h6,9,12H,1-5H2,(H,10,11)
InChIKey
LHDVONJKFJRQTI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
41.68
TPSA
77.76
LogP / Solubility
WLOGP
0.13
MLOGP
0.11
XLogP3
0.1
Consensus LogP
0.11
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.69
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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