CAS RN: 3685-22-1
cis-4-Hydroxycyclohexanecarboxylic Acid
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-144108
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 0.25g, 25g, 100g, 500g
- Available purity: >98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 5 In Stock | Beijing | Inquiry |
| 10g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 2 In Stock | Shanghai | Inquiry |
| 100g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 500g | >98% | 0 Out of Stock | Shanghai | Inquiry |
3685-22-1 / methyl 5-oxohexanoate
Basic Information
CAS
3685-22-1
Multi CAS
Yes
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c1-6(8)4-3-5-7(9)10-2/h3-5H2,1-2H3
InChIKey
AVVPOKSKJSJVIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
36.55
TPSA
43.37
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.2
Consensus LogP
0.64
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
