![CAS 18720-35-9 4-(Methoxycarbonyl)bicyclo[2.2.2]octan-1-carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m2855-jpgcontextbwfzdgvyfhjvb3r8mza1nzv8aw1hz2uvanblz3xoytkvagnllzg5mze2mdu5mzgymdyvtti4ntuuanbnfgeyzgm1mde1nznhotvmyzq4ztewmjnmzmnimdu1otyzzwezntq0zwu3yze3yzblnzcymzk0mtg4mmy1yze5mti.jpeg)
CAS RN: 18720-35-9
4-(Methoxycarbonyl)bicyclo[2.2.2]octan-1-carboxylic Acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250902 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: SSC-086990
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, 25g, 100g, 500g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 500g | >97% | 1 In Stock | Shenzhen | Inquiry |
18720-35-9 / 4-methoxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid
Basic Information
CAS
18720-35-9
Multi CAS
No
Molecular Formula
C11H16O4
Molecular Weight
212.240000
Exact Mass
212.104859
SMILES
COC(=O)C12CCC(CC1)(CC2)C(=O)O
InChI
InChI=1S/C11H16O4/c1-15-9(14)11-5-2-10(3-6-11,4-7-11)8(12)13/h2-7H2,1H3,(H,12,13)
InChIKey
KBZVAQVEHVGIEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.22
TPSA
63.6
LogP / Solubility
WLOGP
1.58
MLOGP
1.4
XLogP3
1
Consensus LogP
1.33
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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