![CAS 15544-51-1 bicyclo[2.2.1]heptane-1,4-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/15544-51-1.gif)
CAS RN: 15544-51-1
bicyclo[2.2.1]heptane-1,4-dicarboxylic acid
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260515 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250929 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250330 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250804 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250112 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-064717
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, 0.1g, 0.25g, 5g, 10g, 25g
- Available purity: >95%
- 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 | >95% | 4 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Shanghai | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 0 Out of Stock | Shanghai | Inquiry |
15544-51-1 / bicyclo[2.2.1]heptane-1,4-dicarboxylic acid
Basic Information
CAS
15544-51-1
Multi CAS
No
Molecular Formula
C9H12O4
Molecular Weight
184.190000
Exact Mass
184.073559
SMILES
C1CC2(CCC1(C2)C(=O)O)C(=O)O
InChI
InChI=1S/C9H12O4/c10-6(11)8-1-2-9(5-8,4-3-8)7(12)13/h1-5H2,(H,10,11)(H,12,13)
InChIKey
XTHLMMQPSUSPPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.22
TPSA
74.6
LogP / Solubility
WLOGP
1.11
MLOGP
0.97
XLogP3
0.3
Consensus LogP
0.79
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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